SCHEMBL3334093

SCHEMBL3334093

CCNc1cccnc1N1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.51
PARP1 P09874 1/20 0.51
HTR2C P28335 2/20 0.47
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
HTR1A P08908 1/20 0.47
HTR3A P46098 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
PLD1 Q13393 1/20 0.44
FLT3 P36888 1/20 0.44
TYRO3 Q06418 1/20 0.44
MERTK Q12866 1/20 0.44
GAS6 Q14393 1/20 0.44

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
Water SCHEMBL8415043 0.99 EPHX2 (0.50) EPHX2PARP1HTR2CHTR3EHTR3B
Hydrochloric Acid SCHEMBL8703350 0.99 EPHX2 (0.50) EPHX2PARP1HTR2CHTR3EHTR3B
Hydrochloric Acid SCHEMBL9076651 0.97 PARP1 (0.49) EPHX2PARP1HTR2CHTR3EHTR3B
Propionic Acid SCHEMBL9640910 0.91 PARP1 (0.53) EPHX2PARP1HTR2CHTR3EHTR3B
SCHEMBL8917883 0.89 EPHX2 (0.49) EPHX2HTR2CHTR3EHTR3BHTR1A
SCHEMBL10776859 0.87 CYP1A2 (0.56) PARP1
SCHEMBL8699158 0.85 EPHX2 (0.51) EPHX2HTR2CHTR3EHTR3BHTR1A
SCHEMBL9640078 0.84 PARP1 (0.47) EPHX2PARP1HTR3EHTR3BHTR3A
SCHEMBL9225056 0.84 PARP1 (0.49) PARP1
SCHEMBL9036740 0.83 EPHX2 (0.55) EPHX2HTR2CHTR3EHTR3BHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0792153-B1 COMPOSITIONS CONTAINING LAZAROIDS AND THEIR USE FOR PREVENTING ADHESIONS UNIV SOUTHERN CALIFORNIA (US) 2002-03-27 EP claimed
EP-0729948-B1 The production of 3-alkylamino-2-piperazinylpyridines UPJOHN CO (US) 1999-09-01 EP claimed
EP-0690848-B1 PIPERAZINYLPYRIDINYL WATER CLATHRATES UPJOHN CO (US) 1998-01-21 EP claimed
EP-0792153-A1 COMPOSITIONS CONTAINING LAZAROIDS AND THEIR USE FOR PREVENTING ADHESIONS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 1997-09-03 EP claimed
US-5614515-A PREVENTING TISSUE ADHESION AFTER SURGERY UNIVERSITY OF SOUTHERN CALIFORNIA (US) 1997-03-25 US claimed
WO-1996015795-A1 COMPOSITIONS CONTAINING LAZAROIDS AND THEIR USE FOR PREVENTING ADHESIONS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 1996-05-30 WO claimed
US-5322943-A As substituents on steroids are useful as pharmaceutical agents for treating a number of conditions THE UPJOHN COMPANY (US) 1994-06-21 US claimed
WO-1991006542-A1 PHARMACEUTICALLY ACTIVE AMINO-SUBSTITUTED HETEROARYL AMINES THE UPJOHN COMPANY (US) 1991-05-16 WO claimed
EP-0358676-A1 PHARMACEUTICALLY ACTIVE AMINES THE UPJOHN COMPANY (US) 1990-03-21 EP claimed
EP-0293078-A1 Pharmaceutically active amines THE UPJOHN COMPANY (US) 1988-11-30 EP claimed
WO-1988008424-A1 PHARMACEUTICALLY ACTIVE AMINES THE UPJOHN COMPANY (US) 1988-11-03 WO claimed
EP-2078002-B1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS MERCK SHARP & DOHME (US) 2013-08-28 EP disclosed
US-20100144710-A1 Piperazine and Piperidine MGLUR5 Potentiators ASTRAZENECA AB (SE) 2010-06-10 US disclosed
US-20100144710-A1 Piperazine and Piperidine MGLUR5 Potentiators ASTRAZENECA AB (SE) 2010-06-10 US disclosed
US-20100144710-A1 Piperazine and Piperidine MGLUR5 Potentiators ASTRAZENECA AB (SE) 2010-06-10 US disclosed
WO-1988007527-A1 AMINO-9,10-SECOSTEROIDS THE UPJOHN COMPANY (US) 1988-10-06 WO disclosed
EP-0263213-A1 C20 Through C26 amino steroids THE UPJOHN COMPANY (US) 1988-04-13 EP disclosed
EP-0238545-A1 C 20? THROUGH C 26? AMINO STEROIDS. UPJOHN CO (US) 1987-09-30 EP disclosed
WO-1987001706-A2 C20 THROUGH C26 AMINO STEROIDS THE UPJOHN COMPANY (US) 1987-03-26 WO disclosed
CN-86106226-A 20-and 21-amino steroids 1987-03-18 CN 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 (1 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-20100144710-A1 Piperazine and Piperidine MGLUR5 Potentiators GRM5, GRM1, GRM2 EPHX2 3023/4885PARP1 3624/4885HTR2C 121/4885

“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.