SCHEMBL3707997

SCHEMBL3707997

N#CCCn1nnnc1[C@H](N)Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 3/20 0.46
CNR2 P34972 2/20 0.40
TSHR P16473 2/20 0.39
GLA P06280 1/20 0.39
NAALAD2 Q9Y3Q0 1/20 0.39
SLC6A2 P23975 2/20 0.37
SLC6A3 Q01959 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CTSH P09668 1/20 0.37
CYP2D6 P10635 1/20 0.37
CTSK P43235 1/20 0.37
CTSC P53634 1/20 0.37
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
ALOX15 P16050 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SLC6A4 P31645 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL3703214 1.00 GHSR (0.46) GHSRCNR2TSHRGLANAALAD2
SCHEMBL3703216 1.00 GHSR (0.46) GHSRCNR2TSHRGLANAALAD2
Trifluoroacetic Acid SCHEMBL8924050 0.92 GHSR (0.51) GHSRNAALAD2CYP1A2CYP3A4CTSH
SCHEMBL7541164 0.85 CNR2 (0.43) CNR2SLC6A2SLC6A3SLC6A4
Hydrochloric Acid SCHEMBL3498268 0.84 MAOB (0.50) GHSRMAOB
SCHEMBL8932445 0.79 GHSR (0.42) GHSRNAALAD2MAOB
SCHEMBL7962305 0.79 GHSR (0.38) GHSRTSHRGLANAALAD2SLC6A2
SCHEMBL7962303 0.79 GHSR (0.38) GHSRTSHRGLANAALAD2SLC6A2
SCHEMBL3700170 0.78 CNR2 (0.43) CNR2CYP1A2CYP3A4CYP2D6
SCHEMBL8922494 0.76 GHSR (0.46) GHSRTSHRNAALAD2MAOB

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-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

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 GHSR 1833/4885CNR2 80/4885TSHR 3478/4885

“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.