SCHEMBL8249889

SCHEMBL8249889

N#CC1c2ccc(F)cc2CCc2ccc(F)cc21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
SRD5A1 P18405 3/20 0.35
CHRNB2 P17787 2/20 0.34
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34
CHRNA4 P43681 2/20 0.34
CHRNA7 P36544 1/20 0.33
OPRM1 P35372 1/20 0.32
KDM1A O60341 3/20 0.32
TRPV1 Q8NER1 2/20 0.32
KDM1B Q8NB78 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL5524678 0.93 HTR2A (0.45) HTR2AHTR2CSRD5A1CHRNB2CHRNB4
SCHEMBL5522090 0.89 HTR2A (0.40) HTR2AHTR2COPRM1SLC6A4
SCHEMBL12050807 0.81 KDM4E (0.42) SRD5A1CHRNB2CHRNA4
SCHEMBL8248722 0.78 HTR7 (0.37)
SCHEMBL12050822 0.75 KDM4E (0.45) SRD5A1
SCHEMBL24481818 0.72 HTR2C (0.42) HTR2AHTR2CSRD5A1OPRM1KDM1A
SCHEMBL4525518 0.72 SRD5A1 (0.42) HTR2CSRD5A1CHRNB2CHRNB4CHRNA3
SCHEMBL8255213 0.72 HTR7 (0.39) HTR2AHTR2C
SCHEMBL10778171 0.72 USP8 (0.35) HTR2AHTR2CCHRNB2CHRNB4CHRNA3
SCHEMBL8247733 0.72 HTR2C (0.44) HTR2AHTR2CSRD5A1CHRNB2CHRNA4

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888562-B1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARM HOLDING (US) 2014-06-18 EP disclosed
US-8076330-B2 Dipeptidyl peptidase-IV inhibitors AMGEN INC. (US) 2011-12-13 US disclosed
US-8076330-B2 Dipeptidyl peptidase-IV inhibitors AMGEN INC. (US) 2011-12-13 US disclosed
US-20110112051-A1 Dipeptidyl Peptidase-IV Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2011-05-12 US disclosed
US-20110112051-A1 Dipeptidyl Peptidase-IV Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2011-05-12 US disclosed
US-20100009961-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-01-14 US disclosed
US-20100009961-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-01-14 US disclosed
US-7553861-B2 Dipeptidyl peptidase-IV inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-06-30 US disclosed
US-7553861-B2 Dipeptidyl peptidase-IV inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-06-30 US disclosed
WO-2006116157-A9 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS INC (US) 2007-03-01 WO disclosed
WO-2006116157-A2 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2006-11-02 WO 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 (2 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-20100009961-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS DPP4, DPP3, DPP7 HTR2A 1763/4885HTR2C 1317/4885SRD5A1 2084/4885
US-20110112051-A1 Dipeptidyl Peptidase-IV Inhibitors DPP4, DPP3, DPP7 HTR2A 1763/4885HTR2C 1317/4885SRD5A1 2084/4885

“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.