SCHEMBL172636

SCHEMBL172636

CCC1Cc2ccccc2CN1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PNMT P11086 7/20 0.69
ADRA2A P08913 2/20 0.61
ADRA2B P18089 2/20 0.61
ADRA2C P18825 2/20 0.61
PRCP P42785 1/20 0.50
OPRM1 P35372 2/20 0.46
OPRL1 P41146 2/20 0.46
KCNH2 Q12809 1/20 0.43

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
SCHEMBL14355729 1.00 PNMT (0.69) PNMTADRA2AADRA2BADRA2CPRCP
SCHEMBL13453377 1.00 PNMT (0.69) PNMTADRA2AADRA2BADRA2CPRCP
SCHEMBL8853548 0.85 PNMT (0.71) PNMTADRA2AADRA2BADRA2CPRCP
SCHEMBL8853554 0.85 PNMT (0.71) PNMTADRA2AADRA2BADRA2CPRCP
SCHEMBL25379977 0.82 PNMT (0.57) PNMT
SCHEMBL31263850 0.82 PNMT (0.57) PNMT
SCHEMBL8326841 0.82 PNMT (0.57) PNMTADRA2AADRA2BADRA2CPRCP
SCHEMBL31264062 0.82 PNMT (0.57) PNMTADRA2AADRA2BADRA2CPRCP
SCHEMBL25377761 0.82 PNMT (0.57) PNMTADRA2AADRA2BADRA2CPRCP
SCHEMBL28332383 0.82 PNMT (0.57) PNMTADRA2AADRA2BADRA2CPRCP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230271938-A1 BENZIMIDAZOLES FOR USE IN THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES CAPELLA THERAPEUTICS, INC. 2023-08-31 US disclosed
EP-4198630-A1 CHEMICALLY AMPLIFIED POSITIVE RESIST COMPOSITION AND RESIST PATTERN FORMING PROCESS Shin-Etsu Chemical Co., Ltd. (JP) 2023-06-21 EP disclosed
EP-3922630-A1 BENZIMIDAZOLE DERIVATIVES AS ERBB TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER Capella Therapeutics, Inc. (US) 2021-12-15 EP disclosed
EP-2961751-B1 1,6- DIAZABICYCLO [3,2,1]OCTAN- 7- ONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTIONS WOCKHARDT LTD (IN) 2018-03-21 EP disclosed
US-20170247326-A1 Substituted Pyrrolidine Carboxamide Compounds Epizyme, Inc. (US) 2017-08-31 US disclosed
US-20120258913-A1 GLUCOPYRANOSIDE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-10-11 US disclosed
US-20120214807-A1 COMPOUNDS USEFUL AS ANTAGONISTS OF CCR2 MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-08-23 US disclosed
US-20120208818-A1 COMPOUNDS USEFUL AS ANTAGONISTS OF CCR2 MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-08-16 US disclosed
US-8188080-B2 VHR protein tyrosine phosphatase inhibitors, compositions and methods of use SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-05-29 US disclosed
EP-1255738-B1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2012-03-07 EP disclosed
US-7569582-B2 Aminotropane derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2009-08-04 US disclosed
US-7569582-B2 Aminotropane derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2009-08-04 US disclosed
US-20090163497-A1 Compounds Useful as Antagonists of CCR2 MILLENNIUM PHARMACEUTICALS, INC. 2009-06-25 US disclosed
US-20090105254-A1 VHR PROTEIN TYROSINE PHOSPHATASE INHIBITORS, COMPOSITIONS AND METHODS OF USE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-04-23 US disclosed
US-7504391-B2 Selective D1/D5 receptor antagonists for the treatment of obesity and CNS disorders SCHERING CORPORATION (US) 2009-03-17 US disclosed
EP-1773829-B1 AMINO-TROPANE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2008-12-17 EP disclosed
US-20080064731-A1 REMEDY FOR CHRONIC DISEASE ONO PHARMACEUTICAL CO.,LTD. 2008-03-13 US disclosed
US-7300917-B2 Remedy for chronic disease ONO PHARMACEUTICALS CO., LTD. (JP) 2007-11-27 US disclosed
US-20070191361-A1 AMINOTROPANE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-08-16 US disclosed
US-20070191361-A1 AMINOTROPANE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-08-16 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 (9 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-20070191361-A1 AMINOTROPANE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF MC5R, TAAR5, MC4R PNMT 57/4885ADRA2A 27/4885ADRA2B 24/4885
US-20090105254-A1 VHR PROTEIN TYROSINE PHOSPHATASE INHIBITORS, COMPOSITIONS AND METHODS OF USE PTPRR, PTPRS, PTPRCAP PNMT 2833/4885ADRA2A 4434/4885ADRA2B 4302/4885
US-20120214807-A1 COMPOUNDS USEFUL AS ANTAGONISTS OF CCR2 CCR2, CCR1, CXCR3 PNMT 4156/4885ADRA2A 299/4885ADRA2B 280/4885
US-20120258913-A1 GLUCOPYRANOSIDE COMPOUND UGGT1, B3GAT3, FUT6 PNMT 4367/4885ADRA2A 1560/4885ADRA2B 1011/4885
US-20090163497-A1 Compounds Useful as Antagonists of CCR2 CCR2, CCR1, CXCR3 PNMT 4084/4885ADRA2A 291/4885ADRA2B 249/4885
US-20120208818-A1 COMPOUNDS USEFUL AS ANTAGONISTS OF CCR2 CCR2, CCR1, CXCR3 PNMT 4156/4885ADRA2A 299/4885ADRA2B 280/4885
US-20080064731-A1 REMEDY FOR CHRONIC DISEASE EDNRA, EDNRB, LPAR2 PNMT 1209/4885ADRA2A 239/4885ADRA2B 297/4885
US-20170247326-A1 Substituted Pyrrolidine Carboxamide Compounds SMYD3, SMYD2, SMURF2 PNMT 1076/4885ADRA2A 3644/4885ADRA2B 3606/4885
US-20230271938-A1 BENZIMIDAZOLES FOR USE IN THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES CHKB, CHKA, CHUK PNMT 1885/4885ADRA2A 3748/4885ADRA2B 3538/4885

“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.