SCHEMBL2341043

SCHEMBL2341043

Clc1ccc(-c2nc(NCc3ccccc3)nc3c2CCNCC3)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 12/20 0.57
▸ HTR2C P28335 12/20 0.57
▸ HTR2B P41595 11/20 0.57
▸ HTR7 P34969 5/20 0.51
▸ HTR1A P08908 2/20 0.51
▸ HTR6 P50406 3/20 0.45
▸ HTR1D P28221 1/20 0.45
▸ HTR1E P28566 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ CLPP Q16740 2/20 0.44
▸ HTR3A P46098 1/20 0.43
▸ DRD2 P14416 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ CETP P11597 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ PTGDR2 Q9Y5Y4 1/20 0.42

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
SCHEMBL2334779 0.85 HTR2A (0.55) HTR2AHTR2CHTR2BHTR7HTR1A
SCHEMBL2343704 0.81 HTR2A (0.57) HTR2AHTR2CHTR2B
Water SCHEMBL9660219 0.75 HTR2A (0.52) HTR2AHTR2CHTR2BHTR7
Hydrochloric Acid SCHEMBL9658330 0.75 HTR2A (0.52) HTR2AHTR2CHTR2BHTR7HTR6
Water SCHEMBL9660223 0.75 HTR2A (0.52) HTR2AHTR2CHTR2BHTR7
SCHEMBL183690 0.73 HTR2A (1.00) HTR2AHTR2CHTR2BHTR7HTR1A
SCHEMBL9659792 0.71 CLPP (0.52) KMT2ACLPPACHE
SCHEMBL2339507 0.70 HTR2A (0.65) HTR2AHTR2CHTR2BHTR7HTR1A
SCHEMBL2342239 0.70 HTR2A (0.67) HTR2AHTR2CHTR2BHTR7HTR1A
SCHEMBL183549 0.69 HTR2C (1.00) HTR2AHTR2CHTR2BHTR7HTR1A

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 8 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
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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