SCHEMBL2339017

SCHEMBL2339017

COc1ccc(-c2nc(N3CCCCC3)nc3c2CNCCC3)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
HTR2C P28335 3/20 0.45
HTR2B P41595 3/20 0.45
HTR2A P28223 2/20 0.45
ALDH1A1 P00352 6/20 0.44
HPGD P15428 4/20 0.44
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 3/20 0.44
ACHE P22303 1/20 0.44
GAA P10253 3/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
PKM P14618 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GALR2 O43603 2/20 0.41
POLB P06746 1/20 0.41
UBE2N P61088 1/20 0.41

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
Hydrochloric Acid SCHEMBL2338321 0.99 HRH2 (0.46) HRH2HRH3HTR2CHTR2BHTR2A
SCHEMBL2339353 0.88 HTR2C (0.51) HRH2HRH3HTR2CHTR2BHTR2A
SCHEMBL2342562 0.87 HTR2C (0.49) HTR2CHTR2BHTR2AHPGDACHE
SCHEMBL2335335 0.85 HTR2A (0.56) HTR2CHTR2BHTR2AALDH1A1KDM4E
Hydrochloric Acid SCHEMBL2334049 0.84 HTR2A (0.55) HTR2CHTR2BHTR2AALDH1A1KDM4E
SCHEMBL2342423 0.83 HTR2A (0.44) HRH3HTR2CHTR2BHTR2AHPGD
Hydrochloric Acid SCHEMBL2334923 0.82 HTR2A (0.43) HRH3HTR2CHTR2BHTR2AHPGD
SCHEMBL2337911 0.81 HTR2C (0.56) HTR2CHTR2BHTR2ANPSR1MAPK1
SCHEMBL2333664 0.80 HTR2C (0.57) HTR2CHTR2BHTR2AHTR1DHTR7
SCHEMBL2333926 0.78 HTR2A (0.60) HTR2CHTR2BHTR2A

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-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-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 HRH2 93/4885HRH3 309/4885HTR2C 6/4885

“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.