SCHEMBL18201816

SCHEMBL18201816

CC(C)(C)OC(=O)N1CC2(CCN(Cc3ccc(N)nc3)CC2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.44
MTOR P42345 2/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
RORC P51449 2/20 0.43
CYP11B2 P19099 1/20 0.42
ACACB O00763 3/20 0.42
SCD5 Q86SK9 1/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
GHSR Q92847 1/20 0.40
GPR183 P32249 2/20 0.40
ALDH1A1 P00352 2/20 0.40

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
SCHEMBL29686670 1.00 PIK3CA (0.44) PIK3CAMTORHDAC1HDAC2RORC
SCHEMBL18201812 0.93 CYP3A4 (0.48) PIK3CAMTORCYP3A4CYP2D6CYP2C19
SCHEMBL20528288 0.92 CYP1A2 (0.47) PIK3CAMTORHDAC1HDAC2RORC
SCHEMBL18201811 0.90 RORC (0.49) PIK3CAMTORRORCCYP11B2OPRD1
SCHEMBL1997213 0.87 MEN1 (0.49) TBK1
SCHEMBL30584532 0.87 MEN1 (0.49) TBK1
SCHEMBL25291826 0.85 PPARD (0.51) RORCCYP11B2ACACBCYP3A4CYP2D6
SCHEMBL29687028 0.85 RORC (0.42) PIK3CAMTORRORCOPRD1OPRK1
SCHEMBL18201923 0.85 RORC (0.42) PIK3CAMTORRORCOPRD1OPRK1
SCHEMBL16892030 0.84 ACACB (0.44) RORCCYP11B2ACACBSCD5CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PIK3CA 79/4885MTOR 100/4885HDAC1 983/4885
US-20180291027-A1 CERTAIN PROTEIN KINASE INHIBITOR CDK4, CDK6, CDK2 PIK3CA 49/4885MTOR 80/4885HDAC1 938/4885

“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.