SCHEMBL5635581

SCHEMBL5635581

O=CC1(c2ccccc2)CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.55
HTR2A P28223 1/20 0.47
TACR1 P25103 3/20 0.40
TSHR P16473 3/20 0.39
USP2 O75604 4/20 0.38
CYP2D6 P10635 3/20 0.38
AKT2 P31751 1/20 0.37
HSD17B10 Q99714 2/20 0.37
HDAC1 Q13547 1/20 0.36
SLC6A4 P31645 1/20 0.36
KCNH2 Q12809 1/20 0.36
CYP2C9 P11712 4/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
DRD2 P14416 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP2C19 P33261 2/20 0.35

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
Bromide SCHEMBL10922388 0.96 OPRM1 (0.52) OPRM1HTR2ATACR1TSHRUSP2
Bromide SCHEMBL10922384 0.96 OPRM1 (0.52) OPRM1HTR2ATACR1TSHRUSP2
SCHEMBL568885 0.85 MEN1 (0.41) OPRM1HTR2ACYP2C9MEN1KMT2A
Hydrochloric Acid SCHEMBL28581691 0.83 MEN1 (0.40) OPRM1CYP2C9MEN1KMT2A
SCHEMBL1553 0.81 AKR1C1 (0.42) OPRM1CYP2C9MEN1KMT2A
SCHEMBL1152247 0.81 AKR1C1 (0.47) SLC6A4KCNH2SIGMAR1
SCHEMBL28231792 0.81 DAO (0.35) OPRM1TACR1SLC6A4KCNH2DRD2
SCHEMBL27594932 0.81 DRD2 (0.55) OPRM1CYP2D6AKT2HSD17B10SLC6A4
SCHEMBL28173283 0.81 MMP2 (0.35) OPRM1DRD2
SCHEMBL7018027 0.80 OPRM1 (0.55) OPRM1HTR2ATACR1TSHRUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-3204380-B1 NOVEL AMINOPYRIDINE COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN PRENYLATION INST NAT SANTE RECH MED (FR) 2019-08-07 EP disclosed
US-20140288081-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC (US) 2014-09-25 US disclosed
US-7094784-B2 High affinity ligands for nociceptin receptor ORL-1 SCHERING CORPORATION (US) 2006-08-22 US disclosed
CN-1231467-C High affinity ligands for nociceptin receptor ORL-1 SCHERING CORP (US) 2005-12-14 CN disclosed
EP-1100781-B1 HIGH AFFINITY LIGANDS FOR NOCICEPTIN RECEPTOR ORL-1 SCHERING CORP (US) 2004-09-22 EP disclosed
US-20040152707-A1 High affinity ligands for nociceptin receptor ORL-1 MERCK SHARP & DOHME CORP. 2004-08-05 US disclosed
US-20040067950-A1 High affinity ligands for nociceptin receptor ORL-1 SCHERING-PLOUGH CORPORATION 2004-04-08 US disclosed
US-6716846-B2 CONTROLLING PAIN IN MAMMALS SCHERING CORPORATION 2004-04-06 US disclosed
US-20030073690-A1 High affinity ligands for nociceptin receptor ORL-1 MERCK SHARP & DOHME CORP. 2003-04-17 US disclosed
US-6455527-B2 ANALGESICSANALGESICS, ANXIOLYTIC AGENTS, ANTHISTAMINES, ANTIDEPRESSANTS SCHERING CORPORATION 2002-09-24 US disclosed
EP-1200087-A1 NOCICEPTIN RECEPTOR ORL-1 AGONISTS FOR USE IN TREATING COUGH SCHERING CORPORATION (US) 2002-05-02 EP disclosed
CN-1311777-A High affinity ligands for nociceptin receptor ORL-1 SCHERING CORP (US) 2001-09-05 CN disclosed
US-20010011092-A1 High affinity ligands for nociceptin receptor ORL-1 MERCK SHARP & DOHME CORP. 2001-08-02 US disclosed
US-6262066-B1 High affinity ligands for nociceptin receptor ORL-1 SCHERING CORPORATION 2001-07-17 US disclosed
EP-1100781-A1 HIGH AFFINITY LIGANDS FOR NOCICEPTIN RECEPTOR ORL-1 SCHERING CORPORATION (US) 2001-05-23 EP disclosed
WO-2001007050-A1 NOCICEPTIN RECEPTOR ORL-1 AGONISTS FOR USE IN TREATING COUGH SCHERING CORPORATION (US) 2001-02-01 WO disclosed
WO-2000006545-A1 HIGH AFFINITY LIGANDS FOR NOCICEPTIN RECEPTOR ORL-1 SCHERING CORPORATION (US) 2000-02-10 WO disclosed
US-5925642-A ANTITUMOR, ANTIMETASTASIS AGENTS; DRUG RESISTANCE MODULATORS; SYNERGISTIC MIXTURES WITH ANTIBIOTICS AND CYTOSTATIC AGENTS; SIDE EFFECT REDUCTION BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1999-07-20 US disclosed
US-5668131-A CONTROLLING HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1997-09-16 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 (5 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-20040152707-A1 High affinity ligands for nociceptin receptor ORL-1 OPRL1, OGFRL1, OPRD1 OPRM1 5/4885HTR2A 553/4885TACR1 751/4885
US-20030073690-A1 High affinity ligands for nociceptin receptor ORL-1 OPRL1, OGFRL1, OPRD1 OPRM1 5/4885HTR2A 553/4885TACR1 751/4885
US-20140288081-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS PDK1, PC, PDK2 OPRM1 3590/4885HTR2A 4680/4885TACR1 4178/4885
US-20010011092-A1 High affinity ligands for nociceptin receptor ORL-1 OPRL1, OGFRL1, OPRD1 OPRM1 5/4885HTR2A 553/4885TACR1 751/4885
US-20040067950-A1 High affinity ligands for nociceptin receptor ORL-1 OPRL1, OPRD1, OGFRL1 OPRM1 5/4885HTR2A 545/4885TACR1 521/4885

“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.