SCHEMBL5718017

SCHEMBL5718017

O=C(CNC(=O)[C@@H]1CCCC[C@H]1c1ccc(CN(C(=O)NCCO)c2ccccc2)cc1)Nc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 1/20 0.40
KCNQ3 O43525 2/20 0.38
KCNQ2 O43526 2/20 0.38
GCGR P47871 8/20 0.37
GIPR P48546 6/20 0.36
KDM1A O60341 1/20 0.36
RCOR1 Q9UKL0 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
EPHX2 P34913 1/20 0.34
TAAR1 Q96RJ0 2/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 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
SCHEMBL5718013 0.87 KCNQ3 (0.37) LTB4R2KCNQ3KCNQ2GCGRGIPR
SCHEMBL5718014 0.79 LTB4R2 (0.40) LTB4R2KCNQ3KCNQ2GCGRGIPR
SCHEMBL5864499 0.71 POLB (0.45) POLB
SCHEMBL4817714 0.70 MAPT (0.50) KDM1AEPHX2TAAR1POLB
SCHEMBL4817720 0.68 EPHX2 (0.50) KDM1ARCOR1EPHX2TAAR1POLB
SCHEMBL5864465 0.66 PDE6D (0.44)
SCHEMBL27320583 0.66 BCHE (0.46) MEN1KMT2A
Hydrochloric Acid SCHEMBL6777163 0.66 PDE6D (0.44) MEN1KMT2A
SCHEMBL5718068 0.66 ATM (0.40) LTB4R2KCNQ3KCNQ2
SCHEMBL6733188 0.65 ALDH1A1 (0.40) LTB4R2KCNQ3KCNQ2POLB

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1318977-B1 SUBSTITUTED PHENYLCYCLOHEXANE CARBOXYLIC ACID AMIDES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2006-12-06 EP claimed
US-7074780-B2 Substituted phenylcyclohexanecarboxamides and their use BAYER AKTIENGESELLSCHAFT (DE) 2006-07-11 US claimed
US-20040122004-A1 Substituted phenylcyclohexanecarboxamides and their use BAYER AKTIENGESELLSCHAFT (DE) 2004-06-24 US claimed
US-20030008881-A1 Substituted phenylcyclohexanecarboxamides and their use BAYER AKTIENGESELLSCHAFT (DE) 2003-01-09 US claimed
EP-1318977-B1 SUBSTITUTED PHENYLCYCLOHEXANE CARBOXYLIC ACID AMIDES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2006-12-06 EP disclosed
US-7074780-B2 Substituted phenylcyclohexanecarboxamides and their use BAYER AKTIENGESELLSCHAFT (DE) 2006-07-11 US disclosed
US-20040122004-A1 Substituted phenylcyclohexanecarboxamides and their use BAYER AKTIENGESELLSCHAFT (DE) 2004-06-24 US disclosed
US-6649616-B2 For therapy and prophylaxis of cardiovascular disorders caused by ischaemia BAYER AKTIENGESELLSCHAFT (DE) 2003-11-18 US disclosed
US-20030008881-A1 Substituted phenylcyclohexanecarboxamides and their use BAYER AKTIENGESELLSCHAFT (DE) 2003-01-09 US 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 (2 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-20030008881-A1 Substituted phenylcyclohexanecarboxamides and their use TNNI3, PAH, P4HA1 LTB4R2 2152/4885KCNQ3 1604/4885KCNQ2 1282/4885
US-20040122004-A1 Substituted phenylcyclohexanecarboxamides and their use TNNI3, PAH, P4HA1 LTB4R2 2152/4885KCNQ3 1604/4885KCNQ2 1282/4885

“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.