SCHEMBL844393

SCHEMBL844393

CCN(CC)Cc1ccc(Cl)c(CBr)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.49
HTR2C P28335 2/20 0.49
HTR2B P41595 2/20 0.49
HTR7 P34969 1/20 0.49
HTR5A P47898 1/20 0.49
HTR6 P50406 1/20 0.49
HRH3 Q9Y5N1 2/20 0.47
CCR5 P51681 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
PYCR1 P32322 2/20 0.39
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
APEX1 P27695 1/20 0.37

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
SCHEMBL844522 0.84 HTR1A (0.48) HTR1AHTR2CHTR2BHTR7HTR5A
SCHEMBL2942897 0.81 HRH3 (0.50) HTR1AHTR2CHTR2BHTR7HTR5A
SCHEMBL31460200 0.81 CYP4F2 (0.44) SIGMAR1CYP4F2CYP4A11MEN1ALDH1A1
SCHEMBL19001409 0.75 SKP2 (0.47) SIGMAR1MAPK1HTT
SCHEMBL28439761 0.75 IDO1 (0.35) CYP4F2CYP4A11PYCR1MEN1ALDH1A1
SCHEMBL19000273 0.74 SIGMAR1 (0.44) HTR2CSIGMAR1ALDH1A1KDM4E
SCHEMBL18982153 0.73 RECQL (0.39) CYP4F2CYP4A11MAPTHTTRECQL
SCHEMBL2253179 0.72 HRH3 (0.70) HRH3PYCR1ALDH1A1KDM4EHDAC8
SCHEMBL15067349 0.72 PRKCI (0.67) HTR1AHTR2CHTR2BHTR7HTR5A
SCHEMBL11269728 0.72 POLB (0.67) HRH3SIGMAR1MEN1ALDH1A1KMT2A

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
EP-2432776-B1 METHYL SULFANYL PYRIMIDINES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS UNIV LAVAL (CA) 2019-09-11 EP disclosed
US-9315521-B2 Pyrimidines as novel therapeutic agents UNIVERSITé LAVAL (CA) 2016-04-19 US disclosed
US-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITé LAVAL (CA) 2015-08-13 US disclosed
US-9040538-B2 Pyrimidines as novel therapeutic agents UNIVERSITE LAVAL (CA) 2015-05-26 US disclosed
EP-2432776-A1 METHYL SULFANYL PYRMIDMES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS Chlorion Pharma, Inc. (CA) 2012-03-28 EP disclosed
US-20100298336-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITE LAVAL (CA) 2010-11-25 US disclosed
WO-2010132999-A1 METHYL SULFANYL PYRMIDMES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS CHLORION PHARMA, INC. (CA) 2010-11-25 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 (2 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-20100298336-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS TYMS, P2RX2, TYMP HTR1A 2597/4885HTR2C 2014/4885HTR2B 1136/4885
US-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS TYMS, P2RX2, TYMP HTR1A 2597/4885HTR2C 2014/4885HTR2B 1136/4885

“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.