SCHEMBL3700170

SCHEMBL3700170

Cn1nnnc1[C@@H](N)Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.43
MMEL1 Q495T6 1/20 0.39
CNR1 P21554 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
ALDH1A1 P00352 4/20 0.38
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38
CYP19A1 P11511 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
HPGD P15428 2/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
SRR Q9GZT4 2/20 0.36
PSAT1 Q9Y617 2/20 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
SCHEMBL7541164 0.82 CNR2 (0.43) CNR2ALDH1A1CYP19A1GAATAAR1
SCHEMBL13919551 0.82 MAPT (0.53) SMN1; SMN2GAAL3MBTL1
SCHEMBL3703214 0.78 GHSR (0.46) CNR2CYP3A4CYP2D6CYP1A2
SCHEMBL3703216 0.78 GHSR (0.46) CNR2CYP3A4CYP2D6CYP1A2
SCHEMBL3707997 0.78 GHSR (0.46) CNR2CYP3A4CYP2D6CYP1A2
SCHEMBL3773888 0.77 CHRNB2 (0.54) CNR2ALDH1A1TAAR1
SCHEMBL7361684 0.74 CSNK1E (0.40) ALDH1A1SMN1; SMN2CYP2D6TAAR1
SCHEMBL3698838 0.74 CYP1A2 (0.42) CNR2CNR1TRPV1ALDH1A1FAAH
Trifluoroacetic Acid SCHEMBL8924050 0.72 GHSR (0.51) GAACYP3A4CYP2D6CYP1A2
SCHEMBL3708374 0.71 CTSS (0.52) ALDH1A1SMN1; SMN2HPGDMEN1KMT2A

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 CNR2 80/4885MMEL1 1000/4885CNR1 49/4885

“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.