SCHEMBL476403

SCHEMBL476403

NC(=O)C1(c2ccccc2)CCNCC1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.58
HDAC1 Q13547 1/20 0.50
AKR1C1 Q04828 1/20 0.48
TACR1 P25103 1/20 0.46
OPRL1 P41146 1/20 0.46
HTR2A P28223 1/20 0.44
HSD11B1 P28845 3/20 0.44
HDAC4 P56524 3/20 0.43
DPP9 Q86TI2 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
ROCK2 O75116 1/20 0.41
AKT1 P31749 1/20 0.40

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 SCHEMBL1990667 0.98 OPRM1 (0.56) OPRM1HDAC1AKR1C1TACR1OPRL1
Trifluoroacetic Acid SCHEMBL16413809 0.91 OPRM1 (0.50) OPRM1HDAC1AKR1C1TACR1OPRL1
SCHEMBL6632931 0.87 SIGMAR1 (0.56) OPRM1HDAC1TACR1OPRL1HSD11B1
SCHEMBL2722547 0.86 AKR1C1 (0.57) OPRM1HDAC1AKR1C1OPRL1HSD11B1
SCHEMBL501923 0.86 AKR1C1 (0.57) OPRM1HDAC1AKR1C1OPRL1HSD11B1
SCHEMBL373567 0.85 AKR1C1 (0.68) OPRM1HDAC1AKR1C1TACR1HTR2A
Hydrochloric Acid SCHEMBL1804765 0.84 AKR1C1 (0.55) OPRM1HDAC1AKR1C1OPRL1HSD11B1
SCHEMBL4219088 0.84 OPRM1 (0.42) OPRM1HDAC1HSD11B1
Ammonia Solution, Strong SCHEMBL3210975 0.83 AKR1C1 (0.66) OPRM1HDAC1AKR1C1TACR1HTR2A
Hydrochloric Acid SCHEMBL18281540 0.83 AKR1C1 (0.66) OPRM1HDAC1AKR1C1TACR1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3914246-A1 LOCAL ANESTHETIC FOR THE TREATMENT OF NEUROLOGICAL SYMPTOMS RESULTING FROM BRAIN DYSFUNCTIONS ICM (Institut du Cerveau et de la Moelle Épinière) (FR) 2021-12-01 EP claimed
WO-2020152212-A1 LOCAL ANESTHETIC FOR THE TREATMENT OF NEUROLOGICAL SYMPTOMS RESULTING FROM BRAIN DYSFUNCTIONS ICM (INSTITUT DU CERVEAU ET DE LA MOELLE ÉPINIÈRE) (FR) 2020-07-30 WO claimed
WO-2014146082-A1 MATERIALS AND METHODS FOR TREATING NEUROPATHIES AND RELATED DISORDERS INCLUDING THOSE INVOLVING A KEYSTONE NERVE BHL PATENT HOLDINGS LLC (US) 2014-09-18 WO claimed
US-7417027-B2 Linear and cyclic melanocortin receptor-specific peptides PALATIN TECHNOLOGIES, INC. (US) 2008-08-26 US claimed
EP-1834627-A1 Skin conditioning compositions and methods of use thereof JR Chemicals (US) 2007-09-19 EP claimed
US-20070190190-A1 Conditioning compositions and methods of use thereof JR CHEM, LLC 2007-08-16 US claimed
EP-1813295-A2 Coated surgical needles TYCO HEALTHCARE GROUP LP (US) 2007-08-01 EP claimed
EP-1441750-A4 LINEAR AND CYCLIC MELANOCORTIN RECEPTOR-SPECIFIC PEPTIDES PALATIN TECHNOLOGIES INC (US) 2006-10-18 EP claimed
US-20060190040-A1 Coated surgical needles TYCO HEALTHCARE GROUP, LP 2006-08-24 US claimed
US-20050038230-A1 Linear and cyclic melanocortin receptor-specific peptides PALATIN TECHNOLOGIES, INC. (US) 2005-02-17 US claimed
EP-1441750-A2 LINEAR AND CYCLIC MELANOCORTIN RECEPTOR-SPECIFIC PEPTIDES Palatin Technologies, Inc. (US) 2004-08-04 EP claimed
EP-0999839-B1 COMPOSITIONS, KITS, AND METHODS FOR INHIBITING CEREBRAL NEUROVASCULAR DISORDERS AND MUSCULAR HEADACHES LEVIN BRUCE H (US) 2004-06-23 EP claimed
WO-2003006620-A2 LINEAR AND CYCLIC MELANOCORTIN RECEPTOR-SPECIFIC PEPTIDES PALATIN TECHNOLOGIES, INC. (US) 2003-01-23 WO claimed
US-6432986-B2 INTRANOSALLY ADMINISTERING OF ANESTHETICS BHL PATENT HOLDINGS LLC 2002-08-13 US claimed
US-20010055607-A1 COMPOSITIONS, KITS, AND METHODS FOR INHIBITING CEREBRAL NEUROVASCULAR DISORDERS AND MUSCULAR HEADACHES BHL PATENT HOLDINGS LLC 2001-12-27 US claimed
WO-2001043733-A2 COMPOSITIONS, KITS, APPARATUS, AND METHODS FOR INHIBITING CEPHALIC INFLAMMATION LEVIN BRUCE H (US) 2001-06-21 WO claimed
US-20010004644-A1 Compositions, kits, apparatus, and methods for inhibiting cephalic inflammation LEVIN BRUCE H (US) 2001-06-21 US claimed
CN-122036731-A CB1 receptor inverse agonist compound, pharmaceutical composition, preparation method and application thereof 北京康辰药业股份有限公司 2026-05-15 CN disclosed
US-4369184-A ANTIHISTAMINES; HETEROCYCLIC NITRILES JANSSEN PHARMACEUTICA N.V. (BE) 1983-01-18 US disclosed
EP-0034415-A1 1-(Cyclohexyl or cyclohexenyl)-4-aryl-4-piperidinecarboxylic acid derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1981-08-26 EP 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 (3 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-20010055607-A1 COMPOSITIONS, KITS, AND METHODS FOR INHIBITING CEREBRAL NEUROVASCULAR DISORDERS AND MUSCULAR HEADACHES TNNC1, KIT, PDE3A OPRM1 1213/4885HDAC1 1305/4885AKR1C1 1320/4885
US-20010004644-A1 Compositions, kits, apparatus, and methods for inhibiting cephalic inflammation CXCR5, CCL5, C5AR2 OPRM1 320/4885HDAC1 1405/4885AKR1C1 1350/4885
US-20050038230-A1 Linear and cyclic melanocortin receptor-specific peptides MC1R, MC3R, MC5R OPRM1 94/4885HDAC1 3896/4885AKR1C1 2741/4885

“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.