SCHEMBL15569569

SCHEMBL15569569

Cn1ccnc1C(=C1CCNCC1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 10/20 0.47
▸ OPRM1 P35372 9/20 0.47
▸ OPRK1 P41145 4/20 0.47
▸ KCNH2 Q12809 3/20 0.44
▸ SETD7 Q8WTS6 1/20 0.43
▸ CYP2D6 P10635 2/20 0.38
▸ FNTA P49354 1/20 0.38
▸ FNTB P49356 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HRH1 P35367 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ CHRNA4 P43681 1/20 0.36
▸ HTR3A P46098 1/20 0.36
▸ ABCB11 O95342 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
SCHEMBL2457390 0.75 OPRD1 (0.61) OPRD1OPRM1OPRK1KCNH2SETD7
Hydrochloric Acid SCHEMBL7647391 0.73 OPRD1 (0.59) OPRD1OPRM1OPRK1KCNH2SETD7
Bromide SCHEMBL10598951 0.73 OPRD1 (0.59) OPRD1OPRM1OPRK1KCNH2SETD7
SCHEMBL8313654 0.72 OPRD1 (0.64) OPRD1OPRM1OPRK1KCNH2SETD7
SCHEMBL22773372 0.71 OPRD1 (0.49) OPRD1OPRM1OPRK1KCNH2SETD7
SCHEMBL22491457 0.71 OPRD1 (0.49) OPRD1OPRM1OPRK1KCNH2SETD7
SCHEMBL29479614 0.69 OPRD1 (0.44) OPRD1OPRM1OPRK1KCNH2SETD7
SCHEMBL8316576 0.69 OPRD1 (0.60) OPRD1OPRM1OPRK1KCNH2SETD7
SCHEMBL28605586 0.69 CYP2D6 (0.45) CYP2D6KMT2AMEN1LMNAKDM4E
SCHEMBL12751010 0.69 OPRD1 (0.48) OPRD1OPRM1OPRK1KCNH2SETD7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9505752-B2 Piperidine amide derivatives as HIV attachment inhibitors VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2016-11-29 — — US disclosed
US-9505752-B2 Piperidine amide derivatives as HIV attachment inhibitors VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2016-11-29 — — US disclosed
US-9505752-B2 Piperidine amide derivatives as HIV attachment inhibitors VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2016-11-29 — — US disclosed
EP-2895471-B1 PIPERIDINE AMIDE DERIVATIVES AS HIV ATTACHMENT INHIBITORS VIIV HEALTHCARE UK NO 5 LTD (GB) 2016-11-23 — — EP disclosed
EP-2895471-B1 PIPERIDINE AMIDE DERIVATIVES AS HIV ATTACHMENT INHIBITORS VIIV HEALTHCARE UK NO 5 LTD (GB) 2016-11-23 — — EP disclosed
US-20150210684-A1 PIPERIDINE AMIDE DERIVATIVES AS HIV ATTACHMENT INHIBITORS VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2015-07-30 — — US disclosed
US-20150210684-A1 PIPERIDINE AMIDE DERIVATIVES AS HIV ATTACHMENT INHIBITORS VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2015-07-30 — — US disclosed
US-20150210684-A1 PIPERIDINE AMIDE DERIVATIVES AS HIV ATTACHMENT INHIBITORS VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2015-07-30 — — US disclosed
EP-2895471-A1 PIPERIDINE AMIDE DERIVATIVES AS HIV ATTACHMENT INHIBITORS Bristol-Myers Squibb Company (US) 2015-07-22 — — EP disclosed
WO-2014025854-A1 PIPERIDINE AMIDE DERIVATIVES AS HIV ATTACHMENT INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-02-13 — — 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-20150210684-A1 PIPERIDINE AMIDE DERIVATIVES AS HIV ATTACHMENT INHIBITORS CD4, HDAC5, ITGA5 OPRD1 636/4885OPRM1 208/4885OPRK1 1049/4885

“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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