SCHEMBL16852136

SCHEMBL16852136

CC(C)CN1CCC(C)(F)C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 13/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP3A4 P08684 11/20 0.35
CYP1A2 P05177 6/20 0.35
USP2 O75604 5/20 0.35
PIK3CD O00329 2/20 0.34
CYP2C19 P33261 2/20 0.34
MGLL Q99685 1/20 0.33
TSHR P16473 4/20 0.33
CYP2C9 P11712 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL27281477 1.00 CYP2D6 (0.41) CYP2D6SMN1; SMN2CYP3A4CYP1A2USP2
SCHEMBL27282020 1.00 CYP2D6 (0.41) CYP2D6SMN1; SMN2CYP3A4CYP1A2USP2
SCHEMBL26650708 0.88 CYP3A4 (0.40) CYP2D6SMN1; SMN2CYP3A4CYP1A2USP2
SCHEMBL17108650 0.87 CYP2D6 (0.47) CYP2D6SMN1; SMN2CYP3A4PIK3CDTSHR
SCHEMBL2608963 0.83 CYP2D6 (0.43) CYP2D6SMN1; SMN2CYP3A4CYP1A2USP2
SCHEMBL16441056 0.82 PIK3CD (0.35) CYP2D6SMN1; SMN2PIK3CDTSHR
SCHEMBL12932411 0.80 SIGMAR1 (0.30)
SCHEMBL23374702 0.78 CYP2D6 (0.43) CYP2D6SMN1; SMN2CYP3A4CYP1A2USP2
SCHEMBL3422699 0.78 CYP2D6 (0.50) CYP2D6SMN1; SMN2CYP3A4PIK3CDTSHR
SCHEMBL26860169 0.78 CYP2D6 (0.40) CYP2D6SMN1; SMN2CYP3A4CYP1A2USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024081311-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2024-04-18 WO disclosed
US-11834447-B2 Indole derivatives and use thereof PURDUE PHARMA L.P. (US) 2023-12-05 US disclosed
US-20230365584-A1 HETEROCYCLIC PERICONDENSED CDC7 KINASE INHIBITORS FOR THE TREATMENT OF CANCER SCHRÖDINGER, INC. 2023-11-16 US disclosed
US-20230339980-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. (US) 2023-10-26 US disclosed
US-20230339980-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. (US) 2023-10-26 US disclosed
US-20230265085-A1 RET KINASE INHIBITORS LOXO ONCOLOGY, INC. 2023-08-24 US disclosed
US-11697647-B2 RET kinase inhibitors ELI LILLY AND COMPANY (US) 2023-07-11 US disclosed
US-20230147507-A1 INDOLINE COMPOUNDS FOR INHIBITING KIF18A VOLASTRA THERAPEUTICS, INC. (US) 2023-05-11 US disclosed
US-20180134690-A1 INDAZOLES AND USE THEREOF PURDUE PHARMA LP (US) 2018-05-17 US disclosed
US-20180127377-A1 5-SUBSTITUTED INDAZOLE-3-CARBOXAMIDES AND PREPARATION AND USE THEREOF VICKERS-SPLICE CO-INVESTMENT LLC (KY) 2018-05-10 US disclosed
US-9695144-B2 Dibenzazepine derivatives and use thereof PURDUE PHARMA L.P. (US) 2017-07-04 US disclosed
US-20170057942-A1 ISOQUINOLINE DERIVATIVES AND USE THEREOF PURDUE PHARMA L.P. 2017-03-02 US disclosed
US-20170008882-A1 PYRIDINES AND PYRIMIDINES AND USE THEREOF PURDUE PHARMA L.P. 2017-01-12 US disclosed
US-20170001986-A1 INDAZOLES AND USE THEREOF PURDUE PHARMA L.P. 2017-01-05 US disclosed
US-20160332992-A1 PYRIMIDINES AND USE THEREOF PURDUE PHARMA L.P. 2016-11-17 US disclosed
US-9493449-B2 Carboxamide derivatives and use thereof PURDUE PHARMA L.P. (US) 2016-11-15 US disclosed
US-20160031873-A1 Carboxamide Derivatives and Use Thereof PURDUE PHARMA L.P. 2016-02-04 US disclosed
US-20150284383-A1 INDOLE DERIVATIVES AND USE THEREOF PURDUE PHARMA L.P. 2015-10-08 US disclosed
US-20150266825-A1 5-SUBSTITUTED INDAZOLE-3-CARBOXAMIDES AND PREPARATION AND USE THEREOF VICKERS VENTURE FUND VI PTE. LTD. (SG) 2015-09-24 US disclosed
US-20150175569-A1 DIBENZAZEPINE DERIVATIVES AND USE THEREOF PURDUE PHARMA L.P. 2015-06-25 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 (16 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-20230365584-A1 HETEROCYCLIC PERICONDENSED CDC7 KINASE INHIBITORS FOR THE TREATMENT OF CANCER CDC7, BUB1B, CDK7 CYP2D6 3853/4885SMN1; SMN2 3929/4885CYP3A4 3620/4885
US-20150266825-A1 5-SUBSTITUTED INDAZOLE-3-CARBOXAMIDES AND PREPARATION AND USE THEREOF DYRK1A, WNT3, WNT1 CYP2D6 3699/4885SMN1; SMN2 3237/4885CYP3A4 2668/4885
US-11834447-B2 Indole derivatives and use thereof TRPC4, TRPV4, TRPV1 CYP2D6 489/4885SMN1; SMN2 780/4885CYP3A4 385/4885
US-20170057942-A1 ISOQUINOLINE DERIVATIVES AND USE THEREOF KCNQ3, KCNQ5, KCNQ4 CYP2D6 212/4885SMN1; SMN2 577/4885CYP3A4 510/4885
US-20150175569-A1 DIBENZAZEPINE DERIVATIVES AND USE THEREOF CACNA1A, CACNA1D, CACNA1S CYP2D6 244/4885SMN1; SMN2 432/4885CYP3A4 775/4885
US-20160031873-A1 Carboxamide Derivatives and Use Thereof TRPV1, CACNA1A, SCN10A CYP2D6 321/4885SMN1; SMN2 925/4885CYP3A4 486/4885
US-20180127377-A1 5-SUBSTITUTED INDAZOLE-3-CARBOXAMIDES AND PREPARATION AND USE THEREOF DYRK1A, WNT3, WNT1 CYP2D6 3699/4885SMN1; SMN2 3237/4885CYP3A4 2668/4885
US-20230147507-A1 INDOLINE COMPOUNDS FOR INHIBITING KIF18A KIF18A, KIF18B, KIF2C CYP2D6 4790/4885SMN1; SMN2 2366/4885CYP3A4 4808/4885
US-20170001986-A1 INDAZOLES AND USE THEREOF TRPV3, TRPA1, TRPV1 CYP2D6 227/4885SMN1; SMN2 599/4885CYP3A4 302/4885
US-11697647-B2 RET kinase inhibitors RET, BRAF, GFRA1 CYP2D6 4529/4885SMN1; SMN2 1041/4885CYP3A4 4737/4885
US-20230265085-A1 RET KINASE INHIBITORS RET, BRAF, GFRA1 CYP2D6 4529/4885SMN1; SMN2 1041/4885CYP3A4 4737/4885
US-20150284383-A1 INDOLE DERIVATIVES AND USE THEREOF TRPC4, TRPV4, TRPV1 CYP2D6 489/4885SMN1; SMN2 780/4885CYP3A4 385/4885
US-20180134690-A1 INDAZOLES AND USE THEREOF TRPV3, TRPA1, TRPV1 CYP2D6 227/4885SMN1; SMN2 599/4885CYP3A4 302/4885
US-20170008882-A1 PYRIDINES AND PYRIMIDINES AND USE THEREOF CACNA1A, P2RX3, P2RX6 CYP2D6 236/4885SMN1; SMN2 212/4885CYP3A4 1793/4885
US-20230339980-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS PAH, KDM8, PHF8 CYP2D6 553/4885SMN1; SMN2 1592/4885CYP3A4 2682/4885
US-20160332992-A1 PYRIMIDINES AND USE THEREOF ADORA2B, P2RX2, P2RX3 CYP2D6 293/4885SMN1; SMN2 252/4885CYP3A4 2548/4885

“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.