SCHEMBL803605

SCHEMBL803605

N[C@H]1CCN(C2CCN(C3CC3)CC2)C1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.44
▸ MAOA P21397 2/20 0.44
▸ MAOB P27338 2/20 0.44
▸ OPRM1 P35372 4/20 0.34
▸ OPRK1 P41145 4/20 0.34
▸ OPRD1 P41143 3/20 0.34
▸ OGFRL1 Q5TC84 3/20 0.34
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ L3MBTL3 Q96JM7 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ OPRL1 P41146 1/20 0.30

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 SCHEMBL785535 0.98 KDM1A (0.43) KDM1AMAOAMAOBOPRM1OPRK1
Hydrochloric Acid SCHEMBL785534 0.98 KDM1A (0.43) KDM1AMAOAMAOBOPRM1OPRK1
SCHEMBL1813325 0.95 — —
SCHEMBL1811563 0.95 — —
SCHEMBL1306991 0.95 — —
SCHEMBL2874112 0.85 DPP4 (0.44) KDM1AMAOAMAOBOPRM1OPRK1
SCHEMBL2552594 0.85 KDM1A (0.41) KDM1AMAOAMAOBOPRM1OPRK1
SCHEMBL17455848 0.85 DPP4 (0.44) KDM1AMAOAMAOBOPRM1OPRK1
SCHEMBL31731906 0.85 KDM1A (0.41) KDM1AMAOAMAOBOPRM1OPRK1
SCHEMBL2874108 0.85 DPP4 (0.44) KDM1AMAOAMAOBOPRM1OPRK1

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-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 — — US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 — — US disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 — — WO disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 — — US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 — — 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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 KDM1A 1493/4885MAOA 726/4885MAOB 261/4885

“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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