SCHEMBL3858510

SCHEMBL3858510

Nc1ccc2nc(C3CCCCN3)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 1/20 0.44
▸ KDM4E B2RXH2 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ CASP6 P55212 1/20 0.41
▸ MAPT P10636 2/20 0.39
▸ GFER P55789 1/20 0.39
▸ BACE1 P56817 1/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ CYP2D6 P10635 3/20 0.37
▸ CYP2C19 P33261 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ CHRNB2 P17787 1/20 0.37
▸ CHRNA7 P36544 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37
▸ CYP2A6 P11509 1/20 0.37
▸ IKBKB O14920 1/20 0.37

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
SCHEMBL8918069 0.79 CYP2D6 (0.52) KDM4EPOLBLMNAMAPTMEN1
SCHEMBL27680283 0.78 BACE1 (0.42) BACE1CHRNB2CHRNA7CHRNA4NR1H4
SCHEMBL3856968 0.78 ALDH1A1 (0.48) LMNACYP2C19CYP1A2SLC6A4ALDH1A1
SCHEMBL31500102 0.75 KMT2A (0.38) POLBMEN1KMT2ACYP2D6CYP2C19
SCHEMBL31500094 0.75 KMT2A (0.38) POLBMEN1KMT2ACYP2D6CYP2C19
SCHEMBL5347416 0.75 PLAU (0.55) PLAUKDM4EPOLBLMNACASP6
SCHEMBL24364145 0.74 CHRNB2 (0.45) POLBMEN1KMT2ACYP2D6CYP2C19
SCHEMBL16429508 0.74 TAAR1 (0.49) KDM4EPOLBLMNAMAPTMEN1
SCHEMBL5780966 0.71 PARP1 (0.41) POLBMEN1KMT2ACYP2D6CYP2C19
SCHEMBL15448490 0.71 CDC7 (0.41) BACE1CYP2C19CYP1A2CHRNB2CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 — — US disclosed
EP-1708698-A1 3-(4-PIPERIDINE-1YLMETHYL-PHENYL)-PROPION ACID-PHENYLAMIDE-DERIVATIVES AND RELATED COMPOUNDS USED IN THE FORM OF MCH ANTAGONISTS (MELANINE CONCENTRATING HORMONE) FOR TREATING EATING DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-11 — — EP disclosed
WO-2005063239-A9 3-(4-PIPERIDINE-1YLMETHYL-PHENYL)-PROPION ACID-PHENYLAMIDE-DERIVATIVES AND RELATED COMPOUNDS USED IN THE FORM OF MCH ANTAGONISTS (MELANINE CONCENTRATING HORMONE) FOR TREATING EATING DISORDERS BOEHRINGER INGELHEIM INT (DE) 2006-03-09 — — WO disclosed
US-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-01 — — US disclosed
WO-2005063239-A1 3-(4-PIPERIDINE-1YLMETHYL-PHENYL)-PROPION ACID-PHENYLAMIDE-DERIVATIVES AND RELATED COMPOUNDS USED IN THE FORM OF MCH ANTAGONISTS (MELANINE CONCENTRATING HORMONE) FOR TREATING EATING DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-07-14 — — WO 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-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MC4R, MCHR2 PLAU 4390/4885KDM4E 1277/4885POLB 4010/4885

“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.

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