SCHEMBL6124875

SCHEMBL6124875

CC(C)CN1CCC(C(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.43
HRH3 Q9Y5N1 1/20 0.39
CYP2D6 P10635 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
SLC18A3 Q16572 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26170494 0.88 OPRL1 (0.43)
SCHEMBL18074011 0.86 PIK3CD (0.45) PIK3CDHRH3CYP2D6SMN1; SMN2KDM4E
SCHEMBL9976596 0.86 PIK3CD (0.45) PIK3CDHRH3CYP2D6SMN1; SMN2KDM4E
SCHEMBL24792967 0.83 PIK3CD (0.38) PIK3CDHRH3SMN1; SMN2KDM4EALDH1A1
SCHEMBL3419598 0.82 PIK3CD (0.44) PIK3CDHRH3CYP2D6SMN1; SMN2KDM4E
SCHEMBL12385991 0.82 SLC18A3 (0.38) SMN1; SMN2SLC18A3
SCHEMBL12384237 0.82 SLC18A3 (0.34) SLC18A3
SCHEMBL12384250 0.82 SLC18A3 (0.34) PIK3CDSMN1; SMN2KDM4ESLC18A3
SCHEMBL23945597 0.82 PIK3CD (0.41) PIK3CDHRH3CYP2D6SMN1; SMN2KDM4E
SCHEMBL26295620 0.81 SMN1; SMN2 (0.53) PIK3CDHRH3CYP2D6SMN1; SMN2KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 92 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240217947-A1 Morpholinylquinazoline Compound, Pharmaceutical compositions thereof and Use Thereof SHANGHAI YINGLI PHARMACEUTICAL CO., LTD (CN) 2024-07-04 US disclosed
US-20240067642-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2024-02-29 US disclosed
US-20240025863-A1 SOS1 PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS BIOTHERYX, INC. 2024-01-25 US disclosed
US-20240024318-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2024-01-25 US disclosed
US-20240025878-A1 MDM2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2024-01-25 US disclosed
US-11807636-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-11-07 US disclosed
US-11807636-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-11-07 US disclosed
US-20230331722-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-10-19 US disclosed
US-20230331722-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-10-19 US disclosed
US-11787800-B2 BRD9 degraders and uses thereof FOGHORN THERAPEUTICS INC. (US) 2023-10-17 US disclosed
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2014-11-27 US disclosed
US-8772301-B2 Compounds for treating disorders mediated by metabotropic glutamate receptor 5, and methods of use thereof SUNOVION PHARMACEUTICALS, INC. (US) 2014-07-08 US disclosed
US-8202887-B2 2-(substituted-amino)-benzothiazole sulfonamide HIV protease inhibitors JANSSEN R&D IRELAND (IE) 2012-06-19 US disclosed
US-8168639-B2 Heterotricyclic compounds as serotonergic and/or dopaminergic agents and uses thereof ATIR HOLDING S.A. (LU) 2012-05-01 US disclosed
US-8168639-B2 Heterotricyclic compounds as serotonergic and/or dopaminergic agents and uses thereof ATIR HOLDING S.A. (LU) 2012-05-01 US disclosed
US-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-12-29 US disclosed
US-20100216807-A1 HETEROCYCLIC COMPOUNDS AS SEROTONERGIC AND / OR DOPAMINERGIC AGENTS AND USES THEREOF ATIR Holding S.A (LU) 2010-08-26 US disclosed
US-20100216807-A1 HETEROCYCLIC COMPOUNDS AS SEROTONERGIC AND / OR DOPAMINERGIC AGENTS AND USES THEREOF ATIR Holding S.A (LU) 2010-08-26 US disclosed
US-20090209583-A1 2-(SUBSTITUTED-AMINO)-BENZOTHIAZOLE SULFONAMIDE HIV PROTEASE INHIBITORS JANSSEN SCIENCES IRELAND UC (IE) 2009-08-20 US disclosed
US-20080249130-A1 Gut microsomal triglyceride transport protein inhibitors SIRTRIS PHARMACEUTICALS, INC. (US) 2008-10-09 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090209583-A1 2-(SUBSTITUTED-AMINO)-BENZOTHIAZOLE SULFONAMIDE HIV PROTEASE INHIBITORS SPINT2, PEPD, DNPEP PIK3CD 2138/4885HRH3 2231/4885CYP2D6 1123/4885
US-20240217947-A1 Morpholinylquinazoline Compound, Pharmaceutical compositions thereof and Use Thereof HDAC6, HDAC9, HDAC7 PIK3CD 10/4885HRH3 1544/4885CYP2D6 1284/4885
US-20240025878-A1 MDM2 DEGRADERS AND USES THEREOF MDM2, TP53, MDM4 PIK3CD 1248/4885HRH3 4228/4885CYP2D6 1170/4885
US-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof GRM5, GRM2, GRM1 PIK3CD 2008/4885HRH3 1089/4885CYP2D6 3733/4885
US-20240024318-A1 SMARCA DEGRADERS AND USES THEREOF SMARCA1, SMARCA2, SMARCC2 PIK3CD 1678/4885HRH3 3548/4885CYP2D6 2910/4885
US-20230331722-A1 COMPOUNDS AND USES THEREOF VHL, TFEB, BECN1 PIK3CD 1598/4885HRH3 2014/4885CYP2D6 3897/4885
US-20080249130-A1 Gut microsomal triglyceride transport protein inhibitors MTTP, CETP, FABP2 PIK3CD 2547/4885HRH3 4041/4885CYP2D6 150/4885
US-11807636-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 PIK3CD 321/4885HRH3 3631/4885CYP2D6 3599/4885
US-20240025863-A1 SOS1 PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS SOS1, SOS2, SOST PIK3CD 3134/4885HRH3 4280/4885CYP2D6 3051/4885
US-20100216807-A1 HETEROCYCLIC COMPOUNDS AS SEROTONERGIC AND / OR DOPAMINERGIC AGENTS AND USES THEREOF HTR1A, HTR1B, HTR1D PIK3CD 1906/4885HRH3 241/4885CYP2D6 201/4885
US-20240067642-A1 COMPOUNDS AND USES THEREOF VHL, TFEB, BECN1 PIK3CD 1598/4885HRH3 2014/4885CYP2D6 3897/4885
US-11787800-B2 BRD9 degraders and uses thereof BRD9, BRWD1, BRD2 PIK3CD 1944/4885HRH3 1813/4885CYP2D6 3138/4885
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 PIK3CD 2008/4885HRH3 1089/4885CYP2D6 3733/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.