SCHEMBL6118741

SCHEMBL6118741

Cc1cccc(-c2ccc(C[C@H](N)c3nnn[nH]3)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
MME P08473 1/20 0.39
KDR P35968 3/20 0.36
TEK Q02763 3/20 0.36
ROCK2 O75116 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
MGLL Q99685 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
Hydrochloric Acid SCHEMBL3699522 0.99 FNTA (0.39) FNTAFNTBPPARGPPARAMME
SCHEMBL7143643 0.85 CYP1A2 (0.45) MMEROCK2ALDH1A1HPGDSMN1; SMN2
SCHEMBL3697236 0.85 TAAR1 (0.50) MMEROCK2
SCHEMBL7509678 0.84 MAOB (0.50) MMEROCK2
SCHEMBL3695542 0.77 SLC1A3 (0.35) PPARGPPARAROCK2MGLL
SCHEMBL6785583 0.76 CYP1A2 (0.54) ROCK2ALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL7507014 0.76 CYP1A2 (0.54) ROCK2ALDH1A1HPGDSMN1; SMN2HSD17B10
Hydrochloric Acid SCHEMBL6791172 0.74 CYP1A2 (0.53) ROCK2ALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL3696928 0.73 NPSR1 (0.50) PPARGPPARAMMEALDH1A1TP53
SCHEMBL6118037 0.72 MME (0.39) MMEROCK2HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8877815-B2 Substituted carbamoylcycloalkyl acetic acid derivatives as NEP NOVARTIS AG (CH) 2014-11-04 US disclosed
US-8877815-B2 Substituted carbamoylcycloalkyl acetic acid derivatives as NEP NOVARTIS AG (CH) 2014-11-04 US disclosed
EP-2640689-A1 SUBSTITUTED CARBAMOYLCYCLOALKYL ACETIC ACID DERIVATIVES AS NEP INHIBITORS Novartis AG (CH) 2013-09-25 EP disclosed
WO-2012065953-A1 SUBSTITUTED CARBAMOYLCYCLOALKYL ACETIC ACID DERIVATIVES AS NEP INHIBITORS NOVARTIS AG (CH) 2012-05-24 WO disclosed
US-20120122764-A1 SUBSTITUTED CARBAMOYLCYCLOALKYL ACETIC ACID DERIVATIVES AS NEP NOVARTIS AG (CH) 2012-05-17 US disclosed
US-20120122764-A1 SUBSTITUTED CARBAMOYLCYCLOALKYL ACETIC ACID DERIVATIVES AS NEP NOVARTIS AG (CH) 2012-05-17 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-20120122764-A1 SUBSTITUTED CARBAMOYLCYCLOALKYL ACETIC ACID DERIVATIVES AS NEP MME, REN, ECE1 FNTA 1693/4885FNTB 2775/4885PPARG 2452/4885

“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.