SCHEMBL18209092

SCHEMBL18209092

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.58
HPGD P15428 4/20 0.58
HSD11B1 P28845 1/20 0.46
MAPT P10636 1/20 0.46
HKDC1 Q2TB90 1/20 0.46
USP2 O75604 1/20 0.46
TSHR P16473 1/20 0.46
POLB P06746 2/20 0.44
KDM4E B2RXH2 1/20 0.44
RECQL P46063 1/20 0.43
GBA1 P04062 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPK10 P53779 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
SCHEMBL18208316 1.00 ALDH1A1 (0.58) ALDH1A1HPGDHSD11B1MAPTHKDC1
SCHEMBL18208315 1.00 ALDH1A1 (0.58) ALDH1A1HPGDHSD11B1MAPTHKDC1
SCHEMBL18208441 0.92 ALDH1A1 (0.46) ALDH1A1HPGDHSD11B1MAPTHKDC1
SCHEMBL18208438 0.92 ALDH1A1 (0.46) ALDH1A1HPGDHSD11B1MAPTHKDC1
SCHEMBL18208590 0.92 ALDH1A1 (0.54) ALDH1A1HPGDHSD11B1MAPTUSP2
SCHEMBL18208702 0.92 ALDH1A1 (0.54) ALDH1A1HPGDHSD11B1MAPTUSP2
SCHEMBL18208588 0.92 ALDH1A1 (0.54) ALDH1A1HPGDHSD11B1MAPTUSP2
SCHEMBL18208616 0.91 ALDH1A1 (0.45) ALDH1A1HPGDMAPTUSP2TSHR
SCHEMBL18208618 0.91 ALDH1A1 (0.45) ALDH1A1HPGDMAPTUSP2TSHR
SCHEMBL18208493 0.87 HSD11B1 (0.48) ALDH1A1HPGDHSD11B1USP2POLB

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 ALDH1A1 2194/4885HPGD 565/4885HSD11B1 1812/4885

“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.