SCHEMBL3028639

SCHEMBL3028639

N#CC1Cc2ccc(Cl)cc21

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPM5 Q9NZQ8 9/20 0.41
TRPM4 Q8TD43 5/20 0.41
HTR2C P28335 6/20 0.38
HTR2A P28223 5/20 0.38
HTR2B P41595 5/20 0.38
ADRB1 P08588 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
CNR1 P21554 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
HRH1 P35367 1/20 0.38
KCNH2 Q12809 1/20 0.38
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34

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
SCHEMBL10850914 0.85 HTR2C (0.45) TRPM5TRPM4HTR2CHTR2AHTR2B
SCHEMBL6583849 0.77 CHRNB2 (0.34) CHRNB2CHRNA4
SCHEMBL6989944 0.77 OPRK1 (0.40)
SCHEMBL7540183 0.77 OPRM1 (0.38) TRPM5HTR2CHTR2AHTR2BCHRNB2
SCHEMBL7540141 0.76 TRPM5 (0.37) TRPM5HTR2CHTR2AHTR2BCHRNB2
Hydrochloric Acid SCHEMBL3020631 0.76 CHRNB2 (0.33) CHRNB2CHRNA4
SCHEMBL7592816 0.75 HTR2A (0.40) HTR2CHTR2AHTR2BHTR1A
SCHEMBL7439467 0.73 OPRM1 (0.44) HTR2CHTR2AHTR2BHTR1AADRA2A
SCHEMBL3161060 0.73 OPRM1 (0.44) HTR2CHTR2AHTR2BHTR1AADRA2A
SCHEMBL7592916 0.72 METAP1 (0.49) HTR2CHTR2AHTR2BHTR1AHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210680-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES N.V. ORGANON 2010-08-19 US disclosed
US-20100210680-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES N.V. ORGANON 2010-08-19 US disclosed
US-20100210680-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES N.V. ORGANON 2010-08-19 US disclosed
EP-2203454-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES N.V. Organon (NL) 2010-07-07 EP disclosed
WO-2009037220-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES N.V. ORGANON (NL) 2009-03-26 WO disclosed
WO-2009037220-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES N.V. ORGANON (NL) 2009-03-26 WO disclosed
US-4567181-A Bicyclo (4.2.0) 1,3,5-octatriene compounds and use as α-adrenergics ADIR, S.A.R.L. (FR) 1986-01-28 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 (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-20100210680-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES TPH1, HTR2C, TPH2 TRPM5 1692/4885TRPM4 2012/4885HTR2C 2/4885

“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.