SCHEMBL18208145

SCHEMBL18208145

O=C(NC1CCC2(CC1)CCN(c1ccc(F)cc1Cl)C2=O)c1c[nH]c2nccnc12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 5/20 0.44
HPGD P15428 1/20 0.42
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CRHR1 P34998 3/20 0.40
CRHR2 Q13324 1/20 0.40
SYK P43405 1/20 0.36
PDE4B Q07343 1/20 0.36
MAP3K6 O95382 3/20 0.35
JAK3 P52333 1/20 0.35
P2RX7 Q99572 1/20 0.35
TP53 P04637 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL18208148 1.00 MAP3K5 (0.44) MAP3K5HPGDKMT2AALDH1A1CRHR1
SCHEMBL18208313 0.90 KMT2A (0.42) MAP3K5HPGDKMT2AALDH1A1CRHR1
SCHEMBL18208311 0.90 KMT2A (0.42) MAP3K5HPGDKMT2AALDH1A1CRHR1
SCHEMBL18208823 0.90 KMT2A (0.42) MAP3K5HPGDKMT2AALDH1A1CRHR1
SCHEMBL20103438 0.85 LMNA (0.44) HPGDKMT2ACRHR1CRHR2PDE4B
SCHEMBL20103204 0.83 PDE4B (0.44) HPGDCRHR1CRHR2PDE4B
SCHEMBL20103203 0.81 SMYD3 (0.44) HPGDKMT2AALDH1A1PDE4B
SCHEMBL18209070 0.81 CRHR1 (0.40) HPGDKMT2ACRHR1CRHR2PDE4B
SCHEMBL18209073 0.81 CRHR1 (0.40) HPGDKMT2ACRHR1CRHR2PDE4B
SCHEMBL18216338 0.81 HPGD (0.46) HPGDALDH1A1CRHR1CRHR2PDE4B

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 MAP3K5 4298/4885HPGD 565/4885KMT2A 3502/4885

“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.