SCHEMBL18209026

SCHEMBL18209026

O=C(N[C@H]1CC[C@H](C(=O)Nc2ccc(F)cc2Cl)CC1)c1cnc2ccc(O)nn12

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 4/20 0.47
▸ TGFBR1 P36897 3/20 0.44
▸ HPGD P15428 1/20 0.44
▸ GSK3A P49840 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ CHRM4 P08173 1/20 0.41
▸ MAPT P10636 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ ABL1 P00519 2/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ GRM4 Q14833 1/20 0.36
▸ TYK2 P29597 1/20 0.36
▸ DHODH Q02127 1/20 0.36

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
SCHEMBL18209028 1.00 NTRK1 (0.47) NTRK1TGFBR1HPGDGSK3AGSK3B
SCHEMBL18208206 0.92 NTRK1 (0.47) NTRK1TGFBR1HPGDGSK3AGSK3B
SCHEMBL18208209 0.92 NTRK1 (0.47) NTRK1TGFBR1HPGDGSK3AGSK3B
SCHEMBL18208477 0.90 NTRK1 (0.51) NTRK1TGFBR1HPGDGSK3AGSK3B
SCHEMBL18208485 0.90 NTRK1 (0.51) NTRK1TGFBR1HPGDGSK3AGSK3B
SCHEMBL18208413 0.88 NTRK1 (0.44) NTRK1TGFBR1HPGDGSK3AGSK3B
SCHEMBL18208421 0.88 NTRK1 (0.48) NTRK1TGFBR1HPGDCHRM4POLB
SCHEMBL18208418 0.88 NTRK1 (0.48) NTRK1TGFBR1HPGDCHRM4POLB
SCHEMBL18208411 0.88 NTRK1 (0.44) NTRK1TGFBR1HPGDGSK3AGSK3B
SCHEMBL18208271 0.88 NTRK1 (0.45) NTRK1TGFBR1HPGDGSK3AGSK3B

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
US-20180148418-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-31 — — US claimed
US-20180148418-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-31 — — US disclosed
US-20180148418-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-31 — — US disclosed
US-20180148418-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-31 — — US disclosed
EP-3292107-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES Bayer Pharma Aktiengesellschaft (DE) 2018-03-14 — — EP disclosed
WO-2016177658-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-11-10 — — WO disclosed
WO-2016177658-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-11-10 — — 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 (1 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-20180148418-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES C1R, C9, C1S NTRK1 3217/4885TGFBR1 2233/4885HPGD 565/4885

“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.

Send feedback