SCHEMBL209787

SCHEMBL209787

CN(C)Cc1cc[c]nc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.47
CHRNA4 P43681 2/20 0.47
HRH3 Q9Y5N1 3/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
TAAR1 Q96RJ0 3/20 0.36
CHRNA7 P36544 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32

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
SCHEMBL7366986 0.80 HRH3 (0.45) CHRNB2CHRNA4HRH3
SCHEMBL213916 0.76
SCHEMBL3056549 0.71
SCHEMBL162718 0.70 HRH3 (0.56) CHRNB2CHRNA4HRH3ALDH1A1TSHR
SCHEMBL27625032 0.69 HRH3 (0.54) CHRNB2CHRNA4HRH3ALDH1A1TSHR
SCHEMBL12910012 0.68 CHRNB2 (0.53) CHRNB2CHRNA4HRH3ALDH1A1TSHR
SCHEMBL15516653 0.68 MAOB (0.32)
SCHEMBL4414485 0.68 NOS2 (0.33) NOS2
SCHEMBL7367240 0.68 ALDH1A1 (0.35) ALDH1A1
SCHEMBL974270 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024042361-A1 TYK2 INHIBITORS AND USES THEREOF SUDO BIOSCIENCES LIMITED (GB) 2024-02-29 WO claimed
US-20130116230-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2013-05-09 US claimed
US-8362003-B2 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION (US) 2013-01-29 US claimed
EP-2431357-A2 3-Aminopyrrolidine Derivatives as Modulators of Chemokine Receptors Incyte Corporation (US) 2012-03-21 EP claimed
US-20110251168-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION 2011-10-13 US claimed
EP-1565436-A4 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORP (US) 2007-07-18 EP claimed
US-20060252751-A1 3-Aminopyrrolidine derivaties as modulators of chemokine receptors INCYTE HOLDINGS CORPORATION 2006-11-09 US claimed
JP-2006516145-A 2006-06-22 JP claimed
EP-1565436-A2 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2005-08-24 EP claimed
WO-2004050024-A2 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2004-06-17 WO claimed
US-5616711-A REACTING BUTENE DERIVATIVE TO AN AMIDE DERIVATIVE; USEFUL AS INTERMEDIATES FOR PRODUCING ANTIULCER DRUGS FUJIREBIO INC. (JP) 1997-04-01 US claimed
EP-0582304-A2 Methods of producing amino butene derivatives FUJIREBIO Inc. (JP) 1994-02-09 EP claimed
EP-0049173-B1 PYRIMIDONE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL DERIVATIVES CONTAINING THEM SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-07-03 EP claimed
US-4385058-A HISTAMINE H2-ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1983-05-24 US claimed
EP-0049173-A2 Pyrimidone derivatives, processes for their preparation and pharmaceutical derivatives containing them SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1982-04-07 EP claimed
WO-2024042361-A1 TYK2 INHIBITORS AND USES THEREOF SUDO BIOSCIENCES LIMITED (GB) 2024-02-29 WO disclosed
US-20170050942-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORP (US) 2017-02-23 US disclosed
US-4439609-A 4-TERT-AMINOALKYL, 2-AMINOALKOXY OR 2-AMINOALKYLENETHIOALKYL SUBSTITUTED, CHEMICAL INTERMEDIATES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1984-03-27 US disclosed
US-4385058-A HISTAMINE H2-ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1983-05-24 US disclosed
EP-0049173-A2 Pyrimidone derivatives, processes for their preparation and pharmaceutical derivatives containing them SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1982-04-07 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 (4 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-20130116230-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CXCR3, CCR5 CHRNB2 2179/4885CHRNA4 988/4885HRH3 59/4885
US-20060252751-A1 3-Aminopyrrolidine derivaties as modulators of chemokine receptors CCR2, CXCR3, CCR5 CHRNB2 2136/4885CHRNA4 891/4885HRH3 66/4885
US-20110251168-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CXCR3, CCR5 CHRNB2 2179/4885CHRNA4 988/4885HRH3 59/4885
US-20170050942-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CCR5, CXCR3 CHRNB2 2482/4885CHRNA4 1365/4885HRH3 154/4885

“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.