SCHEMBL18201812

SCHEMBL18201812

CC(C)(C)OC(=O)N1CCC2(CCN(Cc3ccc(N)nc3)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.48
CYP2D6 P10635 6/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPK1 P28482 2/20 0.48
USP2 O75604 2/20 0.48
CYP2C19 P33261 2/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP2C9 P11712 4/20 0.47
CYP1A2 P05177 3/20 0.47
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
TSHR P16473 4/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
NAMPT P43490 2/20 0.44
GPR119 Q8TDV5 2/20 0.43
PIK3CA P42336 1/20 0.43
MTOR P42345 1/20 0.43
CCR8 P51685 1/20 0.42
KCNH2 Q12809 1/20 0.42
MEN1 O00255 2/20 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
SCHEMBL20528288 0.93 CYP1A2 (0.47) CYP3A4CYP2D6ALDH1A1USP2CYP2C19
SCHEMBL29686670 0.93 PIK3CA (0.44) CYP3A4CYP2D6ALDH1A1MAPK1USP2
SCHEMBL18201816 0.93 PIK3CA (0.44) CYP3A4CYP2D6ALDH1A1MAPK1USP2
SCHEMBL1997213 0.90 MEN1 (0.49) GPR119MEN1KMT2ACHRM2TBK1
SCHEMBL30584532 0.90 MEN1 (0.49) GPR119MEN1KMT2ACHRM2TBK1
SCHEMBL18291467 0.86 MEN1 (0.46) GPR119MEN1KMT2ACHRM2TBK1
SCHEMBL18201811 0.84 RORC (0.49) OPRD1OPRK1NAMPTGPR119PIK3CA
SCHEMBL16892078 0.83 CYP3A4 (0.48) CYP3A4CYP2D6ALDH1A1MAPK1USP2
SCHEMBL29687028 0.81 RORC (0.42) OPRD1OPRK1NAMPTGPR119PIK3CA
SCHEMBL18201923 0.81 RORC (0.42) OPRD1OPRK1NAMPTGPR119PIK3CA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3288931-B2 CERTAIN PROTEIN KINASE INHIBITOR CHONGQING FOCHON PHARMACEUTICAL CO LTD (CN) 2022-07-20 EP disclosed
EP-3288931-B1 CERTAIN PROTEIN KINASE INHIBITOR CHONGQING FOCHON PHARMACEUTICAL CO LTD (CN) 2019-11-06 EP disclosed
EP-3288931-B1 CERTAIN PROTEIN KINASE INHIBITOR CHONGQING FOCHON PHARMACEUTICAL CO LTD (CN) 2019-11-06 EP disclosed
US-10450316-B2 Certain protein kinase inhibitor Chongqing Fochon Pharmaceutical Co., Ltd. (CN) 2019-10-22 US disclosed
US-10450316-B2 Certain protein kinase inhibitor Chongqing Fochon Pharmaceutical Co., Ltd. (CN) 2019-10-22 US disclosed
US-20180291027-A1 CERTAIN PROTEIN KINASE INHIBITOR FOCHON BIOSCIENCES, LTD. (CN) 2018-10-11 US disclosed
WO-2016173505-A1 CERTAIN PROTEIN KINASE INHIBITOR SHANGHAI FOCHON PHARMACEUTICAL CO., LTD. (CN) 2016-11-03 WO 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 (2 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-10450316-B2 Certain protein kinase inhibitor CDK4, CDK6, CDK2 CYP3A4 3365/4885CYP2D6 1922/4885ALDH1A1 2249/4885
US-20180291027-A1 CERTAIN PROTEIN KINASE INHIBITOR CDK4, CDK6, CDK2 CYP3A4 3071/4885CYP2D6 2357/4885ALDH1A1 3686/4885

“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.