SCHEMBL13466366

SCHEMBL13466366

CC(C)c1ccc(N2CCCC2)nc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.48
MAPT P10636 2/20 0.47
UBE2T Q9NPD8 1/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
ALOX12 P18054 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PANK3 Q9H999 8/20 0.46
OGA O60502 2/20 0.44
ACACB O00763 1/20 0.43
KIT P10721 1/20 0.42

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
SCHEMBL4547927 0.98 CNR2 (0.50) CNR2MAPTUBE2TALDH1A1LMNA
SCHEMBL14349207 0.96 PANK3 (0.46) CNR2MAPTUBE2TALDH1A1LMNA
SCHEMBL14147063 0.87 ALDH1A1 (0.44) ALDH1A1PANK3OGA
SCHEMBL22280445 0.86 CNR2 (0.49) CNR2MAPTUBE2TALDH1A1LMNA
SCHEMBL10127337 0.86 HTR3A (0.49) ALDH1A1PANK3OGA
SCHEMBL14924050 0.85 L3MBTL3 (0.46) PANK3ACACB
SCHEMBL14349680 0.84 CNR2 (0.46) CNR2PANK3OGAACACB
Hydrochloric Acid SCHEMBL28608204 0.84 CNR2 (0.48) CNR2MAPTUBE2TALDH1A1LMNA
SCHEMBL14924078 0.84 OGA (0.50) PANK3OGAACACB
Hydrochloric Acid SCHEMBL28608203 0.84 CNR2 (0.48) CNR2MAPTUBE2TALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023096928-A1 HETERO-ATOM CONTAINING COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-06-01 WO disclosed
US-20230060004-A1 DIACYLGLYERCOL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2023-02-23 US disclosed
US-20230043159-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF DISC MEDICINE, INC. 2023-02-09 US disclosed
US-20230043835-A1 Compounds for the Treatment of Kinase-Dependent Disorders EXELIXIS, INC. 2023-02-09 US disclosed
WO-2022271677-A1 DIACYLGLYERCOL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2022-12-29 WO disclosed
US-20220324866-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2022-10-13 US disclosed
US-20220220106-A1 QUINOLINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF ACADEMY OF MILITARY MEDICAL SCIENCES (CN) 2022-07-14 US disclosed
US-11198691-B2 N-((het)arylmethyl)-heteroaryl-carboxamides compounds as kallikrein inhibitors KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-12-14 US disclosed
US-11084809-B2 N-((HET)arylmethyl)-heteroaryl-carboxamides compounds as kallikrein inhibitors KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-08-10 US disclosed
US-11001578-B2 N-((HET)arylmethyl)-heteroaryl-carboxamides compounds as plasma kallikrein inhibitors KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-05-11 US disclosed
US-20160039752-A1 BENZYLAMINE DERIVATIVES KALVISTA PHARMACEUTICALS LIMITED (GB) 2016-02-11 US disclosed
EP-2925743-B1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2016-02-03 EP disclosed
EP-2699579-B1 PYRAZOLO[4,3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-10-07 EP disclosed
US-20150005304-A1 Pyran-Spirocyclic Piperidine Amides as Modulators of Ion Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-01-01 US disclosed
WO-2014184234-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2014-11-20 WO disclosed
US-20140288044-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2014-09-25 US disclosed
WO-2014060112-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
WO-2012142329-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS MYREXIS, INC. (US) 2012-10-18 WO disclosed
US-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed
US-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 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 (11 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-20230060004-A1 DIACYLGLYERCOL KINASE MODULATING COMPOUNDS DGKG, DGKB, DGKK CNR2 700/4885MAPT 4483/4885UBE2T 3032/4885
US-20220324866-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS DGKG, DGKB, DGKK CNR2 1348/4885MAPT 4206/4885UBE2T 3409/4885
US-20230043835-A1 Compounds for the Treatment of Kinase-Dependent Disorders MAP3K20, MAP3K6, MAP3K1 CNR2 1814/4885MAPT 1351/4885UBE2T 4071/4885
US-20140288044-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS CSNK1G1, PRKCE, PHKG1 CNR2 4063/4885MAPT 1484/4885UBE2T 1839/4885
US-20150005304-A1 Pyran-Spirocyclic Piperidine Amides as Modulators of Ion Channels TRPV1, KCNJ2, KCNJ1 CNR2 380/4885MAPT 2202/4885UBE2T 4679/4885
US-11198691-B2 N-((het)arylmethyl)-heteroaryl-carboxamides compounds as kallikrein inhibitors KLKB1, BDKRB1, BDKRB2 CNR2 363/4885MAPT 4726/4885UBE2T 1807/4885
US-20230043159-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF MMP7, MATR3, SPINT2 CNR2 4734/4885MAPT 1700/4885UBE2T 2326/4885
US-20220220106-A1 QUINOLINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF MTOR, RICTOR, EIF4E CNR2 1168/4885MAPT 1257/4885UBE2T 1641/4885
US-11001578-B2 N-((HET)arylmethyl)-heteroaryl-carboxamides compounds as plasma kallikrein inhibitors KLKB1, BDKRB1, BDKRB2 CNR2 440/4885MAPT 4603/4885UBE2T 1845/4885
US-11084809-B2 N-((HET)arylmethyl)-heteroaryl-carboxamides compounds as kallikrein inhibitors KLKB1, BDKRB1, BDKRB2 CNR2 363/4885MAPT 4726/4885UBE2T 1807/4885
US-20160039752-A1 BENZYLAMINE DERIVATIVES BDKRB1, BDKRB2, KLKB1 CNR2 971/4885MAPT 3370/4885UBE2T 2085/4885

“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.