SCHEMBL18208702

SCHEMBL18208702

Cc1cc(C)n2ncc(C(=O)N[C@H]3CC[C@]4(CCN(c5ccc(F)cc5Cl)C4=O)CC3)c2n1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
KDM4E B2RXH2 7/20 0.54
POLB P06746 2/20 0.54
HPGD P15428 6/20 0.45
MAPT P10636 2/20 0.45
GBA1 P04062 2/20 0.45
HSD17B10 Q99714 2/20 0.44
USP2 O75604 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP1A1 P04798 1/20 0.44
HSD11B1 P28845 2/20 0.43
CRHR1 P34998 1/20 0.42
CRHR2 Q13324 1/20 0.42
TYK2 P29597 1/20 0.40
PDE4B Q07343 1/20 0.40
JAK2 O60674 1/20 0.39
NTRK1 P04629 1/20 0.39
PLEC Q15149 1/20 0.39

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
SCHEMBL18208588 1.00 ALDH1A1 (0.54) ALDH1A1KDM4EPOLBHPGDMAPT
SCHEMBL18208590 1.00 ALDH1A1 (0.54) ALDH1A1KDM4EPOLBHPGDMAPT
SCHEMBL18208618 0.93 ALDH1A1 (0.45) ALDH1A1KDM4EPOLBHPGDMAPT
SCHEMBL18208616 0.93 ALDH1A1 (0.45) ALDH1A1KDM4EPOLBHPGDMAPT
SCHEMBL18208315 0.92 ALDH1A1 (0.58) ALDH1A1KDM4EPOLBHPGDMAPT
SCHEMBL18209092 0.92 ALDH1A1 (0.58) ALDH1A1KDM4EPOLBHPGDMAPT
SCHEMBL18208316 0.92 ALDH1A1 (0.58) ALDH1A1KDM4EPOLBHPGDMAPT
SCHEMBL18208395 0.91 ALDH1A1 (0.56) ALDH1A1KDM4EPOLBHPGDMAPT
SCHEMBL18208397 0.91 ALDH1A1 (0.56) ALDH1A1KDM4EPOLBHPGDMAPT
SCHEMBL18208619 0.90 ALDH1A1 (0.57) ALDH1A1KDM4EPOLBHPGDMAPT

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
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

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 ALDH1A1 2194/4885KDM4E 2120/4885POLB 3067/4885

“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.