SCHEMBL6216682

SCHEMBL6216682

Cc1ccc([C@@H]2CCCC[C@H]2C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.55
SLC6A2 P23975 2/20 0.50
SLC6A4 P31645 1/20 0.50
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
KCNQ3 O43525 2/20 0.46
KCNQ2 O43526 2/20 0.46
GLA P06280 1/20 0.44
GRIA4 P48058 1/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 1/20 0.41
ALOX5AP P20292 2/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 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
SCHEMBL6778641 1.00 FFAR1 (0.55) FFAR1SLC6A2SLC6A4CYP1A2CYP2C19
SCHEMBL13545677 0.86 SLC6A2 (0.47) FFAR1SLC6A2SLC6A4CYP1A2CYP2C19
SCHEMBL901089 0.84 SLC6A2 (0.48) FFAR1SLC6A2SLC6A4CYP1A2CYP2C19
SCHEMBL838634 0.83 KCNQ3 (0.56) FFAR1SLC6A2SLC6A4CYP2C19ALDH1A1
SCHEMBL22492058 0.83 KCNQ3 (0.56) FFAR1SLC6A2SLC6A4CYP2C19ALDH1A1
SCHEMBL22492062 0.83 KCNQ3 (0.56) FFAR1SLC6A2SLC6A4CYP2C19ALDH1A1
SCHEMBL12354198 0.83 KCNQ3 (0.56) FFAR1SLC6A2SLC6A4CYP2C19ALDH1A1
SCHEMBL14921525 0.82 SMN1; SMN2 (0.51) SLC6A2SLC6A4ALDH1A1KCNQ3KCNQ2
SCHEMBL5251428 0.82 SLC6A2 (0.47) FFAR1SLC6A2SLC6A4CYP1A2CYP2C19
SCHEMBL14921526 0.82 SMN1; SMN2 (0.51) SLC6A2SLC6A4ALDH1A1KCNQ3KCNQ2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1187812-B1 SUBSTITUTED PHENYLCYCLOHEXANE CARBOXYLIC ACID AMIDES AND THEIR USE AS ADENOSINE UPTAKE INHIBITORS BAYER HEALTHCARE AG (DE) 2005-09-07 EP disclosed
US-20040186106-A1 Substituted phenylcyclohexane carboxylic acid amides that have an adenosine uptake inhibiting effect BAYER HEALTHCARE AG (DE) 2004-09-23 US disclosed
US-6716849-B1 ISCHEMIC BRAIN DISORDERS; NEUROPROTECTANTS BAYER AKTIENGESELLSCHAFT (DE) 2004-04-06 US disclosed
US-5834481-A HYPOTENSIVE AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1998-11-10 US disclosed
US-5708003-A TREATING ARTERIAL HYPERTENSION AND ATHEROSCLEROSIS BAYER AKTIENGESELLSCHAFT (DE) 1998-01-13 US disclosed
US-5508299-A ANGIOTENSIN CONVERTING ENZYME INHIBITOR, ARTERIAL HYPOTENSIVE AGENT; CARDIOVASCULAR DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1996-04-16 US disclosed
US-5478836-A Treaing hypertension, atheroschlerosis BAYER AKTIENGESELLSCHAFT (DE) 1995-12-26 US disclosed
US-5395840-A Hypotensive agents; atherosclerosis BAYER AKTIENGESELLSCHAFT (DE) 1995-03-07 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 (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-20040186106-A1 Substituted phenylcyclohexane carboxylic acid amides that have an adenosine uptake inhibiting effect ADORA1, ADORA2A, ADORA3 FFAR1 252/4885SLC6A2 49/4885SLC6A4 120/4885

“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.