SCHEMBL1286766

SCHEMBL1286766

CCCCCN1CCC(Nc2ccc(C(N)=O)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.52
▸ STS P08842 5/20 0.48
▸ CA2 P00918 4/20 0.48
▸ CA9 Q16790 4/20 0.48
▸ CA12 O43570 2/20 0.48
▸ CA1 P00915 2/20 0.48
▸ CCR1 P32246 1/20 0.48
▸ CHRM3 P20309 1/20 0.48
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ GNAI3 P08754 2/20 0.44
▸ GNAO1 P09471 2/20 0.44
▸ GNAI1 P63096 2/20 0.44
▸ HTR4 Q13639 1/20 0.44
▸ CARM1 Q86X55 1/20 0.44
▸ PRMT6 Q96LA8 1/20 0.44

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
SCHEMBL6154880 0.81 POLB (0.59) —
Benzamide SCHEMBL10720284 0.80 KCNH2 (0.64) KCNH2CHRM3
Benzamide SCHEMBL10723892 0.80 KCNH2 (0.64) KCNH2CHRM3
SCHEMBL8608140 0.77 CA12 (0.67) KCNH2CA2CA9CA12CA1
SCHEMBL6153555 0.76 LTA4H (0.66) KCNH2
SCHEMBL11938971 0.76 DRD2 (0.54) CA2CA9CA12CA1SMN1; SMN2
SCHEMBL27932778 0.76 SYK (0.48) —
SCHEMBL16256981 0.76 CARM1 (0.68) KCNH2CA2CA9CA12CA1
SCHEMBL27669922 0.76 GNAI3 (0.54) KCNH2CCR1GNAI3GNAO1GNAI1
Hydrochloric Acid SCHEMBL6157025 0.75 LTA4H (0.65) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697307-B1 OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2014-03-12 — — EP disclosed
EP-2208727-B1 Diaryl ethers as opioid receptor antagonist LILLY CO ELI (US) 2012-08-29 — — EP disclosed
US-20120088756-A1 Methods for Regulating Neurotransmitter Systems by Inducing Counteradaptations MICHALOW ALEXANDER (US) 2012-04-12 — — US disclosed
US-20100234360-A1 Methods for Regulating Neurotransmitter Systems by Inducing Counteradaptations MICHALOW ALEXANDER 2010-09-16 — — US disclosed
EP-1809104-A4 METHODS FOR REGULATING NEUROTRANSMITTER SYSTEMS BY INDUCING COUNTERADAPTATIONS MICHALOW ALEXANDER (US) 2009-04-29 — — EP disclosed
EP-1562595-B1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-05-21 — — EP disclosed
CN-101065014-A Method for regulating neurotransmitter systems by inducing counteradaptation ALEXANDER MICHALOW (US) 2007-10-31 — — CN disclosed
EP-1809104-A2 METHODS FOR REGULATING NEUROTRANSMITTER SYSTEMS BY INDUCING COUNTERADAPTATIONS Michalow, Alexander (US) 2007-07-25 — — EP disclosed
WO-2006034343-A2 methods for regulating neurotransmitter systems by inducing counteradaptationS MICHALOW ALEXANDER (US) 2006-03-30 — — WO disclosed
US-20060069086-A1 Methods for regulating neurotransmitter systems by inducing counteradaptations MICHALOW ALEXANDER 2006-03-30 — — US disclosed
EP-1049676-B1 4- ARYL(PIPERIDIN-4-YL)] AMINOBENZAMIDES WHICH BIND TO THE DELTA-OPIOID RECEPTOR ORTHO MCNEIL PHARM INC (US) 2005-10-12 — — EP disclosed
US-6835840-B2 Process for the preparation diaryl-4-amino-piperidinyl compounds ASTRAZENECA AB (SE) 2004-12-28 — — US disclosed
US-20040068112-A1 Process for the preparation diaryl-4-amino-piperidinyl compounds ASTRAZENECA AB (SE) 2004-04-08 — — US disclosed
US-6436959-B1 DELTA-OPIOID RECEPTOR AGONISTS/ANTAGONISTS, ANALGESICS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-08-20 — — US disclosed
US-6436959-B1 DELTA-OPIOID RECEPTOR AGONISTS/ANTAGONISTS, ANALGESICS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-08-20 — — US disclosed
US-6436959-B1 DELTA-OPIOID RECEPTOR AGONISTS/ANTAGONISTS, ANALGESICS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-08-20 — — US disclosed
EP-1049676-A1 4- ARYL(PIPERIDIN-4-YL)] AMINOBENZAMIDES WHICH BIND TO THE DELTA-OPIOID RECEPTOR Ortho-Mcneil Pharmaceutical, Inc. (US) 2000-11-08 — — EP disclosed
WO-1999033806-A1 4-[ARYL(PIPERIDIN-4-YL)] AMINOBENZAMIDES WHICH BIND TO THE DELTA-OPIOID RECEPTOR ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 1999-07-08 — — 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-20040068112-A1 Process for the preparation diaryl-4-amino-piperidinyl compounds DDC, AADAC, ABL1 KCNH2 932/4885STS 2604/4885CA2 4457/4885

“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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