SCHEMBL828730

SCHEMBL828730

O=C1Cc2ccccc2N1C1CCNCC1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 13/20 0.61
OPRK1 P41145 12/20 0.61
OPRL1 P41146 12/20 0.61
CHRNB4 P30926 1/20 0.57
CHRNA3 P32297 1/20 0.57
DDB1 Q16531 1/20 0.55
CRBN Q96SW2 1/20 0.55

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
SCHEMBL29809539 1.00 OPRM1 (0.61) OPRM1OPRK1OPRL1CHRNB4CHRNA3
Ammonia Solution, Strong SCHEMBL1764239 0.98 OPRM1 (0.59) OPRM1OPRK1OPRL1CHRNB4CHRNA3
SCHEMBL15202950 0.91 OPRM1 (0.55) OPRM1OPRK1OPRL1CHRNB4CHRNA3
SCHEMBL15202972 0.91 OPRM1 (0.55) OPRM1OPRK1OPRL1CHRNB4CHRNA3
SCHEMBL4418077 0.91 OPRM1 (0.55) OPRM1OPRK1OPRL1CHRNB4CHRNA3
SCHEMBL2554375 0.88 OPRM1 (0.69) OPRM1OPRK1OPRL1CHRNB4CHRNA3
SCHEMBL10063412 0.87 OPRL1 (0.77) OPRM1OPRK1OPRL1CHRNB4CHRNA3
SCHEMBL13243418 0.86 OPRM1 (0.68) OPRM1OPRK1OPRL1
SCHEMBL1238158 0.86 OPRM1 (0.62) OPRM1OPRK1OPRL1
SCHEMBL28667548 0.85 OPRM1 (0.80) OPRM1OPRK1OPRL1CHRNB4CHRNA3

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 154 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050228023-A1 Agonist and antagonist ligands of the nociceptin receptor SRI INTERNATIONAL (US) 2005-10-13 US claimed
EP-4291552-B1 MODULATORS OF COMPLEX I BOEHRINGER INGELHEIM INT (DE) 2025-04-09 EP disclosed
EP-4455145-A2 PIPERIDINYL NOCICEPTIN RECEPTOR COMPOUNDS Astraea Therapeutics, LLC (US) 2024-10-30 EP disclosed
US-12071403-B2 Modulators of complex I BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-08-27 US disclosed
US-20240150285-A1 MODULATORS OF COMPLEX I BOEHRINGER INGELHEIM INT (DE) 2024-05-09 US disclosed
US-20240059664-A1 Piperidinyl Nociceptin Receptor Compounds ASTRAEA THERAPEUTICS, LLC 2024-02-22 US disclosed
US-RE49825-E1 Piperidinyl nociceptin receptor compounds ASTRAEA THERAPEUTICS, LLC (US) 2024-02-06 US disclosed
EP-4291552-A1 MODULATORS OF COMPLEX I Boehringer Ingelheim International GmbH (DE) 2023-12-20 EP disclosed
US-11827617-B2 Piperidinyl nociceptin receptor compounds ASTRAEA THERAPEUTICS, LLC (US) 2023-11-28 US disclosed
US-11827617-B2 Piperidinyl nociceptin receptor compounds ASTRAEA THERAPEUTICS, LLC (US) 2023-11-28 US disclosed
US-20030078419-A1 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2003-04-24 US disclosed
US-20020115656-A1 Method for treating allergies using substituted pyrazoles BUTLER CHRISTOPHER R (US) 2002-08-22 US disclosed
US-20020055497-A1 Method for treating allergies using substituted pyrazoles BUTLER CHRISTOPHER R (US) 2002-05-09 US disclosed
EP-0714299-B1 BENZOXAZINONE AND BENZOPYRIMIDINONE PIPERIDINYL TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2002-04-24 EP disclosed
WO-2002020011-A2 A METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-03-14 WO disclosed
WO-2002014315-A2 SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-02-21 WO disclosed
US-5665719-A Benzoxazinone and benzopyrimidinone piperidinyl tocolytic oxytocin receptor antagonists MERCK & CO., INC. (US) 1997-09-09 US disclosed
EP-0714299-A4 1996-07-10 EP disclosed
EP-0714299-A1 BENZOXAZINONE AND BENZOPYRIMIDINONE PIPERIDINYL TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1996-06-05 EP disclosed
WO-1995002405-A1 BENZOXAZINONE AND BENZOPYRIMIDINONE PIPERIDINYL TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1995-01-26 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 (8 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-20050228023-A1 Agonist and antagonist ligands of the nociceptin receptor OPRL1, OPRK1, OPRM1 OPRM1 3/4885OPRK1 2/4885OPRL1 1/4885
US-11827617-B2 Piperidinyl nociceptin receptor compounds OPRL1, OPRK1, OPRM1 OPRM1 3/4885OPRK1 2/4885OPRL1 1/4885
US-20030078419-A1 Substituted pyrazoles CTSS, CTSZ, CTSV OPRM1 4858/4885OPRK1 4693/4885OPRL1 4813/4885
US-20240150285-A1 MODULATORS OF COMPLEX I NDUFAB1, NDUFV1, NDUFB7 OPRM1 1138/4885OPRK1 1930/4885OPRL1 2594/4885
US-20020115656-A1 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 OPRM1 4584/4885OPRK1 2768/4885OPRL1 3676/4885
US-12071403-B2 Modulators of complex I NDUFAB1, NDUFV1, NDUFB7 OPRM1 1138/4885OPRK1 1930/4885OPRL1 2594/4885
US-20020055497-A1 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 OPRM1 4584/4885OPRK1 2768/4885OPRL1 3676/4885
US-20240059664-A1 Piperidinyl Nociceptin Receptor Compounds OPRL1, OPRK1, OPRM1 OPRM1 3/4885OPRK1 2/4885OPRL1 1/4885

“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.