SCHEMBL2334779

SCHEMBL2334779

Clc1ccc(-c2nc(NCc3ccccc3)nc3c2CNCCC3)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 7/20 0.55
▸ HTR2C P28335 6/20 0.55
▸ HTR2B P41595 6/20 0.55
▸ HTR7 P34969 2/20 0.47
▸ ACHE P22303 2/20 0.44
▸ HPGD P15428 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ CLPP Q16740 2/20 0.42
▸ SOS1 Q07889 1/20 0.42
▸ HTR1A P08908 1/20 0.41
▸ BCHE P06276 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ IGF1R P08069 1/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.40

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
SCHEMBL2341043 0.85 HTR2A (0.57) HTR2AHTR2CHTR2BHTR7ACHE
SCHEMBL2343704 0.82 HTR2A (0.57) HTR2AHTR2CHTR2B
Water SCHEMBL9660223 0.77 HTR2A (0.52) HTR2AHTR2CHTR2BHTR7SOS1
Hydrochloric Acid SCHEMBL9658330 0.77 HTR2A (0.52) HTR2AHTR2CHTR2BHTR7SOS1
Water SCHEMBL9660219 0.77 HTR2A (0.52) HTR2AHTR2CHTR2BHTR7SOS1
SCHEMBL2339528 0.72 HTR2A (0.69) HTR2AHTR2CHTR2BHTR7ACHE
Hydrochloric Acid SCHEMBL2342334 0.71 HTR2A (0.68) HTR2AHTR2CHTR2BHTR7ACHE
SCHEMBL300930 0.71 HTR2A (1.00) HTR2AHTR2CHTR2B
SCHEMBL2073851 0.70 HTR7 (0.60) HTR2AHTR2CHTR2BHTR7HTR1A
Hydrochloric Acid SCHEMBL183749 0.70 HTR2A (0.98) HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110207717-A1 2-AMINOPYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-08-25 — — US claimed
WO-2010053825-A1 2-AMINOPYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-05-14 — — WO claimed
US-8829011-B2 2-aminopyrimidine compounds as serotonin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2014-09-09 — — US disclosed
US-8829011-B2 2-aminopyrimidine compounds as serotonin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2014-09-09 — — US disclosed
US-8829011-B2 2-aminopyrimidine compounds as serotonin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2014-09-09 — — US disclosed
US-20110207717-A1 2-AMINOPYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-08-25 — — US disclosed
US-20110207717-A1 2-AMINOPYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-08-25 — — US disclosed
US-20110207717-A1 2-AMINOPYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-08-25 — — US disclosed
WO-2010053825-A1 2-AMINOPYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-05-14 — — 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 (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-20110207717-A1 2-AMINOPYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS HTR2A, HTR6, HTR5A HTR2A 1/4885HTR2C 6/4885HTR2B 8/4885

“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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