SCHEMBL868537

SCHEMBL868537

C=CCCc1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.57
CYP2A6 P11509 1/20 0.53
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HRH1 P35367 2/20 0.50
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 0.49
HRH4 Q9H3N8 2/20 0.47
HRH3 Q9Y5N1 2/20 0.47
TBXAS1 P24557 2/20 0.46
CHRNB2 P17787 2/20 0.46
CHRNA4 P43681 2/20 0.46

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 SCHEMBL17353587 0.98 CHRNA7 (0.55) CHRNA7CYP2A6TDP1L3MBTL1HRH1
Hydrochloric Acid SCHEMBL28122048 0.98 CHRNA7 (0.55) CHRNA7CYP2A6TDP1L3MBTL1HRH1
SCHEMBL11329185 0.89 CYP2A6 (0.59) CHRNA7CYP2A6TDP1L3MBTL1HRH1
SCHEMBL8199625 0.87 TDP1 (0.61) CHRNA7CYP2A6TDP1L3MBTL1HRH1
SCHEMBL2050612 0.83
SCHEMBL724866 0.80 CHRNA7 (0.74) CHRNA7CYP2A6TDP1L3MBTL1HRH1
SCHEMBL29485692 0.80 CHRNA7 (0.74) CHRNA7CYP2A6TDP1L3MBTL1HRH1
SCHEMBL2690999 0.80 CHRNA7 (0.45) CHRNA7CYP2A6TDP1L3MBTL1HRH1
SCHEMBL10888485 0.80 CHRNA7 (0.57) CHRNA7CYP2A6TDP1L3MBTL1HRH1
SCHEMBL348856 0.80 CHRNA7 (0.57) CHRNA7CYP2A6TDP1L3MBTL1HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998033776-A1 COMBINATORIAL LIBRARIES OF HYDANTOIN AND THIOHYDANTOIN DERIVATIVES, METHODS OF MAKING THE LIBRARIES AND COMPOUNDS THEREIN TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO claimed
US-5550233-A AUTOIMMUNE DISEASES; PREVENTION OF TRANSPLANT REJECTION MERCK & CO., INC. (US) 1996-08-27 US claimed
US-5252732-A D-heteroaryl, O-alkylheteroaryl, O-alkenylheteroaryl and O-alkynylheteroarylmacrolides having immunosuppressive activity MERCK & CO., INC. (US) 1993-10-12 US claimed
US-20240335490-A1 COMPOSITION FOR PREVENTING OR AMELIORATING LOCOMOTIVE SYNDROME DIC CORPORATION (JP) 2024-10-10 US disclosed
US-8993773-B2 Process to prepare pioglitazone via several novel intermediates CADILA HEALTHCARE LIMITED (IN) 2015-03-31 US disclosed
US-20140088127-A1 NOVEL PROCESS TO PREPARE PIOGLITAZONE VIA SEVERAL NOVEL INTERMEDIATES CADILA HEALTHCARE LIMITED (IN) 2014-03-27 US disclosed
US-8445685-B2 Process to prepare pioglitazone via several novel intermediates CADILA HEALTHCARE LIMITED (IN) 2013-05-21 US disclosed
US-8173816-B2 Process to prepare pioglitazone via several novel intermediates CADILA HEALTHCARE LIMITED (IN) 2012-05-08 US disclosed
US-20120077848-A1 NOVEL PROCESS TO PREPARE PIOGLITAZONE VIA SEVERAL NOVEL INTERMEDIATES CADILA HEALTHCARE LIMITED (IN) 2012-03-29 US disclosed
US-20120041019-A1 PROTEASE INHIBITORS AMPLYX PHARMACEUTICALS, INC. 2012-02-16 US disclosed
US-20120041019-A1 PROTEASE INHIBITORS AMPLYX PHARMACEUTICALS, INC. 2012-02-16 US disclosed
US-4146489-A LUBRICANTS, DISPERSANTS ROHM AND HAAS COMPANY (US) 1979-03-27 US disclosed
US-4117240-A CONTAINING ANTIOXIDANT PHENOLIC DERIVATIVES OF ACRYLIC ESTERS AS MONOMERS THE GOODYEAR TIRE & RUBBER COMPANY (US) 1978-09-26 US disclosed
US-4087619-A Amine containing antioxidants THE GOODYEAR TIRE & RUBBER COMPANY (US) 1978-05-02 US disclosed
US-4021404-A AMIDES, NATURAL AND SYNTHETIC RUBBERS THE GOODYEAR TIRE & RUBBER COMPANY (US) 1977-05-03 US disclosed
US-3979436-A ACRYLIC ESTERS THE GOODYEAR TIRE & RUBBER COMPANY (US) 1976-09-07 US disclosed
US-3962187-A STABILIZED POLYMERS OF DITERTIARY ALKYL-4-HYDROXYBENZYLOXY ALKYL ACRYLATES AND DIENES THE GOODYEAR TIRE & RUBBER COMPANY (US) 1976-06-08 US disclosed
US-3953411-A Age resistant polymers of 4-(arylamino)aryl esters of α,β unsaturated carboxylic acids THE GOODYEAR TIRE & RUBBER COMPANY (US) 1976-04-27 US disclosed
US-3953402-A COPOLYMER OF A P-HYDROXYPHENYL ACRYLATE THE GOODYEAR TIRE & RUBBER COMPANY (US) 1976-04-27 US disclosed
US-3953398-A 3,5-DI-TERT-ALKYL-4-HYDROXYCINNAMIC ACID OR ESTER AS STABILIZER THE GOODYEAR TIRE & RUBBER COMPANY (US) 1976-04-27 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 (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-20140088127-A1 NOVEL PROCESS TO PREPARE PIOGLITAZONE VIA SEVERAL NOVEL INTERMEDIATES PPARD, PPARG, PPARA CHRNA7 4218/4885CYP2A6 203/4885TDP1 3723/4885
US-20120077848-A1 NOVEL PROCESS TO PREPARE PIOGLITAZONE VIA SEVERAL NOVEL INTERMEDIATES PPARD, PPARG, PPARA CHRNA7 4218/4885CYP2A6 203/4885TDP1 3723/4885
US-20120041019-A1 PROTEASE INHIBITORS SERPINB1, PREP, DNPEP CHRNA7 4874/4885CYP2A6 2737/4885TDP1 1008/4885

“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.