SCHEMBL4864362

SCHEMBL4864362

O=C(NCCN1CCC(Oc2ccccc2)CC1)Nc1ccnc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.49
PRMT6 Q96LA8 1/20 0.49
HRH3 Q9Y5N1 2/20 0.47
UTS2R Q9UKP6 8/20 0.47
HDAC8 Q9BY41 2/20 0.46
RAB9A P51151 2/20 0.45
HTR2C P28335 2/20 0.45
ADRA2A P08913 1/20 0.45
DRD2 P14416 1/20 0.45
SLC6A2 P23975 1/20 0.45
HTR2A P28223 1/20 0.45
SLC6A4 P31645 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
NPC1 O15118 1/20 0.45
SHMT2 P34897 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR2B P41595 1/20 0.43

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
SCHEMBL6195127 0.87 SMN1; SMN2 (0.50) HRH3UTS2RHDAC8HTR2CADRA2A
SCHEMBL6199252 0.87 KMT2A (0.50) HRH3UTS2RHDAC8RAB9AHTR2C
SCHEMBL6196354 0.85 DRD2 (0.53) CARM1PRMT6HRH3UTS2RHDAC8
SCHEMBL6194791 0.85 UTS2R (0.64) CARM1PRMT6HRH3UTS2RRAB9A
SCHEMBL6198166 0.84 CCR3 (0.60) UTS2RSLC6A2SLC6A4MEN1KMT2A
SCHEMBL6198960 0.83 CCR3 (0.48) HRH3UTS2RHDAC8HTR2CADRA2A
SCHEMBL5527306 0.82 HRH3 (0.68) HRH3UTS2RHDAC8SHMT2MEN1
SCHEMBL6196275 0.82 UTS2R (0.48) HRH3UTS2RHDAC8HTR2CADRA2A
SCHEMBL5735341 0.81 KMT2A (0.63) HRH3HDAC8DRD2MEN1KMT2A
SCHEMBL5735461 0.81 MAPT (0.57) HRH3UTS2RHDAC8HTR2CADRA2A

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-7375227-B2 Quinoline derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-05-20 US disclosed
US-7375227-B2 Quinoline derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-05-20 US disclosed
US-7375227-B2 Quinoline derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-05-20 US disclosed
EP-1499607-B1 4-(PIPERIDYL- AND PYRROLIDYL-ALKYL-UREIDO)-QUINOLINES AS UROTENSIN II RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2005-12-07 EP disclosed
US-20050043535-A1 4-(Piperidyl-and pyrrolidyl-alkyl-ureido)-quinolines as urotensin II receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2005-02-24 US disclosed
EP-1499607-A1 4-(PIPERIDYL- AND PYRROLIDYL-ALKYL-UREIDO)-QUINOLINES AS UROTENSIN II RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2005-01-26 EP disclosed
WO-2003048154-A1 4-(PIPERIDYL- AND PYRROLIDYL-ALKYL-UREIDO) -QUINOLINES AS UROTENSIN II RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2003-06-12 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-20050043535-A1 4-(Piperidyl-and pyrrolidyl-alkyl-ureido)-quinolines as urotensin II receptor antagonists UTS2R, NTSR2, PLAUR CARM1 4315/4885PRMT6 2563/4885HRH3 150/4885

“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.