SCHEMBL18216201

SCHEMBL18216201

O=C(N[C@H]1CC[C@H](C(=O)Nc2ccc(F)cc2Cl)CC1)c1c(Cl)nc2ccccn12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ MAPT P10636 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ RAB9A P51151 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ RIPK2 O43353 1/20 0.40
▸ CSNK1D P48730 1/20 0.40
▸ CSNK1E P49674 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ CHRM4 P08173 1/20 0.40
▸ CCNA2 P20248 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ GSK3A P49840 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
SCHEMBL20184974 1.00 SMN1; SMN2 (0.53) SMN1; SMN2MAPTKDM4EPOLBTDP1
SCHEMBL18208565 0.84 EPHB3 (0.55) SMN1; SMN2KDM4EPOLBHPGDALDH1A1
SCHEMBL18208569 0.84 EPHB3 (0.55) SMN1; SMN2KDM4EPOLBHPGDALDH1A1
SCHEMBL20142939 0.82 NPC1 (0.56) SMN1; SMN2MAPTKDM4EPOLBHPGD
SCHEMBL20142935 0.82 NPC1 (0.56) SMN1; SMN2MAPTKDM4EPOLBHPGD
SCHEMBL20143023 0.78 CCNA2 (0.49) SMN1; SMN2MAPTKDM4EPOLBTDP1
SCHEMBL20143024 0.78 CCNA2 (0.49) SMN1; SMN2MAPTKDM4EPOLBTDP1
SCHEMBL18208181 0.78 EPHB3 (0.56) SMN1; SMN2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL18208178 0.78 EPHB3 (0.56) SMN1; SMN2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL20185001 0.77 HPGD (0.45) MAPTPOLBHPGDRAB9ATP53

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 4 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
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 SMN1; SMN2 1153/4885MAPT 4434/4885KDM4E 2120/4885

“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.

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