SCHEMBL1617746

SCHEMBL1617746

CC(c1ccccc1)N1CCC2CNCC21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.44
▸ HTR1A P08908 2/20 0.44
▸ OPRM1 P35372 2/20 0.43
▸ OPRD1 P41143 1/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ OPRL1 P41146 1/20 0.43
▸ CHRNB4 P30926 1/20 0.41
▸ CHRNA3 P32297 1/20 0.41
▸ HTR2A P28223 3/20 0.40
▸ HTR2C P28335 3/20 0.40
▸ HTR2B P41595 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MC4R P32245 1/20 0.40
▸ BPTF Q12830 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.36
▸ CHRM2 P08172 3/20 0.36
▸ CHRM4 P08173 3/20 0.36
▸ CHRM5 P08912 3/20 0.36
▸ CHRM1 P11229 3/20 0.36

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
SCHEMBL650751 1.00 CYP2D6 (0.44) CYP2D6HTR1AOPRM1OPRD1OPRK1
SCHEMBL12066938 1.00 CYP2D6 (0.44) CYP2D6HTR1AOPRM1OPRD1OPRK1
SCHEMBL649311 1.00 CYP2D6 (0.44) CYP2D6HTR1AOPRM1OPRD1OPRK1
SCHEMBL17228501 0.80 CYP2D6 (0.40) CYP2D6HTR1AOPRM1OPRD1OPRK1
SCHEMBL19083163 0.79 HTR2C (0.35) HTR2AHTR2CHTR2BHRH3CCR5
SCHEMBL17131633 0.79 HTR2C (0.35) HTR2AHTR2CHTR2BHRH3CCR5
SCHEMBL17131616 0.79 HTR2C (0.35) HTR2AHTR2CHTR2BHRH3CCR5
SCHEMBL6331046 0.77 CHRNB2 (0.42) CYP2D6CHRNB4CHRNA3ALDH1A1HPGD
SCHEMBL14718396 0.77 HRH3 (0.50) CYP2D6HTR1AOPRM1OPRD1OPRK1
SCHEMBL927546 0.77 CHRNB2 (0.42) CYP2D6CHRNB4CHRNA3ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716475-B2 2-aminopyrimidine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA NV (BE) 2014-05-06 — — US disclosed
CN-101668423-B 2-aminopyrimidine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA NV 2013-10-30 — — CN disclosed
US-20130158259-A1 2-AMINOPYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA NV (US) 2013-06-20 — — US disclosed
US-20130158258-A1 2-AMINOPYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA NV (US) 2013-06-20 — — US disclosed
EP-2599386-A1 2-aminopyrimidine modulators of the histamine h4 receptor Janssen Pharmaceutica N.V. (BE) 2013-06-05 — — EP disclosed
US-8415366-B2 2-aminopyrimidine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA NV (BE) 2013-04-09 — — US disclosed
US-20110218338-A1 2-AMINOPYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR Janseen Pharmaceutiacal NV 2011-09-08 — — US disclosed
US-20110160451-A1 2-Aminopyrimidine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA NV 2011-06-30 — — US disclosed
US-20110160452-A1 2-Aminopyrimidine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA NV 2011-06-30 — — US disclosed
US-7923451-B2 Antiallergens; asthma; autoimmune disease; pruritius; antiarthritic agents JANSSEN PHARMACEUTICA NV (BE) 2011-04-12 — — US disclosed
CN-101668423-A 2-aminopyrimidine modulators of the histamine h4 receptor JANSSEN PHARMACEUTICA NV 2010-03-10 — — CN disclosed
EP-2124560-A1 2-AMINOPYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR Janssen Pharmaceutica, N.V. (BE) 2009-12-02 — — EP disclosed
WO-2008100565-A1 2-AMINOPYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-21 — — WO disclosed
US-20080194577-A1 Antiallergens; asthma; autoimmune disease; pruritius; antiarthritic agents JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-14 — — 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 (6 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-20130158259-A1 2-AMINOPYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR HRH4, HRH2, HRH3 CYP2D6 1457/4885HTR1A 178/4885OPRM1 843/4885
US-20110160451-A1 2-Aminopyrimidine modulators of the histamine H4 receptor HRH4, HRH2, HRH3 CYP2D6 1457/4885HTR1A 178/4885OPRM1 843/4885
US-20110218338-A1 2-AMINOPYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR HRH4, HRH2, HRH3 CYP2D6 1225/4885HTR1A 188/4885OPRM1 797/4885
US-20080194577-A1 Antiallergens; asthma; autoimmune disease; pruritius; antiarthritic agents HRH4, HRH2, HRH3 CYP2D6 2655/4885HTR1A 222/4885OPRM1 1132/4885
US-20130158258-A1 2-AMINOPYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR HRH4, HRH2, HRH3 CYP2D6 1457/4885HTR1A 178/4885OPRM1 843/4885
US-20110160452-A1 2-Aminopyrimidine modulators of the histamine H4 receptor HRH4, HRH2, HRH3 CYP2D6 1457/4885HTR1A 178/4885OPRM1 843/4885

“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.

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