SCHEMBL18208569

SCHEMBL18208569

O=C(NC1CCC(C(=O)Nc2ccc(F)cc2Cl)CC1)c1cnc2ccccn12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHB3 P54753 2/20 0.55
▸ RIPK2 O43353 2/20 0.49
▸ CCNA2 P20248 1/20 0.47
▸ CDK2 P24941 1/20 0.47
▸ KIT P10721 5/20 0.46
▸ HPGD P15428 1/20 0.45
▸ CCNT1 O60563 1/20 0.44
▸ CDK9 P50750 1/20 0.44
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ ABL1 P00519 1/20 0.41
▸ EPHA2 P29317 1/20 0.41
▸ EPHA4 P54764 1/20 0.41
▸ CHRM4 P08173 1/20 0.41
▸ GRM4 Q14833 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ DDR2 Q16832 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
SCHEMBL18208565 1.00 EPHB3 (0.55) EPHB3RIPK2CCNA2CDK2KIT
SCHEMBL18208645 0.86 PDE4B (0.45) HPGDPOLBCHRM4
SCHEMBL18208650 0.86 PDE4B (0.45) HPGDPOLBCHRM4
SCHEMBL18216201 0.84 SMN1; SMN2 (0.53) RIPK2CCNA2CDK2HPGDRAB9A
SCHEMBL20184974 0.84 SMN1; SMN2 (0.53) RIPK2CCNA2CDK2HPGDRAB9A
SCHEMBL18208206 0.82 NTRK1 (0.47) HPGDPOLBABL1CHRM4
SCHEMBL18208209 0.82 NTRK1 (0.47) HPGDPOLBABL1CHRM4
SCHEMBL18209026 0.81 NTRK1 (0.47) HPGDPOLBABL1CHRM4GRM4
SCHEMBL18209028 0.81 NTRK1 (0.47) HPGDPOLBABL1CHRM4GRM4
SCHEMBL20142935 0.80 NPC1 (0.56) HPGDNPC1RAB9ASMN1; SMN2ALDH1A1

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
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 EPHB3 3782/4885RIPK2 3376/4885CCNA2 154/4885

“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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