SCHEMBL3697236

SCHEMBL3697236

N[C@@H](Cc1ccc(-c2cccc(Cl)c2)cc1)c1nnn[nH]1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.50
MAOB P27338 2/20 0.47
MMEL1 Q495T6 9/20 0.43
JAK2 O60674 1/20 0.40
ROCK2 O75116 1/20 0.39
MME P08473 5/20 0.39
ACE P12821 2/20 0.39
IDO1 P14902 1/20 0.38

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
SCHEMBL7143643 0.85 CYP1A2 (0.45) TAAR1MMEL1ROCK2MMEIDO1
SCHEMBL6118741 0.85 FNTA (0.40) ROCK2MME
Hydrochloric Acid SCHEMBL3699522 0.84 FNTA (0.39) ROCK2MME
SCHEMBL7509678 0.81 MAOB (0.50) TAAR1MAOBROCK2MME
SCHEMBL6118037 0.77 MME (0.39) JAK2ROCK2MMEACE
SCHEMBL7507014 0.76 CYP1A2 (0.54) TAAR1ROCK2
SCHEMBL6785583 0.76 CYP1A2 (0.54) TAAR1ROCK2
Hydrochloric Acid SCHEMBL6791172 0.74 CYP1A2 (0.53) TAAR1ROCK2
SCHEMBL3697969 0.73 CTSL (0.45) MMEL1JAK2MMEACE
SCHEMBL3697968 0.73 CTSL (0.45) MMEL1JAK2MMEACE

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
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
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
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 TAAR1 799/4885MAOB 658/4885MMEL1 1000/4885

“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.