SCHEMBL18208271

SCHEMBL18208271

O=C(NC1CCC(C(=O)Nc2ccc(F)cc2Cl)CC1)c1cnc2ccc(N3CCCC3)nn12

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 5/20 0.45
▸ MAPT P10636 1/20 0.43
▸ IRAK4 Q9NWZ3 3/20 0.42
▸ CHRM4 P08173 1/20 0.42
▸ TGFBR1 P36897 1/20 0.42
▸ HPGD P15428 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ GSK3A P49840 1/20 0.39
▸ GSK3B P49841 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
SCHEMBL18208268 1.00 NTRK1 (0.45) NTRK1MAPTIRAK4CHRM4TGFBR1
SCHEMBL18208863 0.93 IRAK4 (0.43) NTRK1MAPTIRAK4CHRM4TGFBR1
SCHEMBL18208864 0.93 IRAK4 (0.43) NTRK1MAPTIRAK4CHRM4TGFBR1
SCHEMBL18209054 0.93 NTRK1 (0.47) NTRK1MAPTIRAK4CHRM4TGFBR1
SCHEMBL18209057 0.93 NTRK1 (0.47) NTRK1MAPTIRAK4CHRM4TGFBR1
SCHEMBL18208206 0.88 NTRK1 (0.47) NTRK1MAPTCHRM4TGFBR1HPGD
SCHEMBL18208209 0.88 NTRK1 (0.47) NTRK1MAPTCHRM4TGFBR1HPGD
SCHEMBL18209028 0.88 NTRK1 (0.47) NTRK1MAPTCHRM4TGFBR1HPGD
SCHEMBL18209026 0.88 NTRK1 (0.47) NTRK1MAPTCHRM4TGFBR1HPGD
SCHEMBL18208477 0.86 NTRK1 (0.51) NTRK1CHRM4TGFBR1HPGDPOLB

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 NTRK1 3217/4885MAPT 4434/4885IRAK4 3368/4885

“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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