SCHEMBL4852129

SCHEMBL4852129

CN(Cc1ccccc1)c1cc(C(=O)O)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 11/20 0.47
▸ KDM5B Q9UGL1 9/20 0.47
▸ KDM5A P29375 9/20 0.47
▸ KDM2B Q8NHM5 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ KMT2A Q03164 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ KDM4A O75164 4/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ KDM5C P41229 3/20 0.45
▸ KDM6B O15054 2/20 0.45
▸ KDM2A Q9Y2K7 2/20 0.45
▸ KDM3A Q9Y4C1 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ JMJD6 Q6NYC1 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ TET3 O43151 1/20 0.44
▸ BBOX1 O75936 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44

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
SCHEMBL24473745 0.81 KDM5B (0.50) KDM4CKDM5BKDM5AKDM2BMAPT
SCHEMBL5335080 0.81 KDM4C (0.46) KDM4CKDM5BKDM5AKDM2BTSHR
SCHEMBL8283845 0.79 ALDH1A1 (0.62) TSHRKMT2ASMN1; SMN2KDM4EPOLB
SCHEMBL6393382 0.78 SMN1; SMN2 (0.62) TSHRKMT2AMAPTSMN1; SMN2POLB
SCHEMBL11565320 0.78 HCAR3 (0.64) TSHRKMT2AMAPTSMN1; SMN2MEN1
SCHEMBL11340185 0.77 KDM4E (0.55) KDM4CKDM5BKDM5AMAPTKDM4A
SCHEMBL6398480 0.77 KDM4C (0.49) KDM4CKDM5BKDM5AKMT2AMAPT
SCHEMBL4851904 0.77 NR3C2 (0.47) MAPTSMN1; SMN2POLB
Hydrochloric Acid SCHEMBL15973575 0.76 KDM4E (0.53) KDM4CKDM5BKDM5AMAPTKDM4A
SCHEMBL10266232 0.76 KDM4C (0.55) KDM4CKDM5BKDM5ATSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100424082-C 4- (piperidinyl-pyrrolidinyl-alkyl-ureido) -quinolines as urotensin II receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2008-10-08 — — CN 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
US-7375227-B2 Quinoline derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-05-20 — — US disclosed
US-20060094716-A1 1-Pyridin-4-yl-urea derivatives ACTELION PHARMACEUTICALS LTD (CH) 2006-05-04 — — 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
EP-1379523-B1 1,2,3,4-TETRAHYDROISOQUINOLINES DERIVATIVES AS UROTENSIN II RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2005-07-27 — — EP disclosed
CN-1617869-A 4-(piperidyl- and pyrrolidyl-alkyl-ureido) -quinolines as urotensin ii receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2005-05-18 — — CN 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
US-20040242564-A1 1,2,3,4-tetrahydroisoquinolines derivatives VELKER JORG (DE) 2004-12-02 — — US disclosed
US-6815451-B2 1,2,3,4-Tetrahydroisoquinolines derivatives as urotensin II receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2004-11-09 — — US disclosed
US-20040110744-A1 1 2 3 4 Tetrahydroisoquinolines derivatives as urotensin II receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2004-06-10 — — US disclosed
EP-1379523-A1 1,2,3,4-TETRAHYDROISOQUINOLINES DERIVATIVES AS UROTENSIN II RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2004-01-14 — — 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
WO-2002076979-A1 1,2,3,4-TETRAHYDROISOQUINOLINES DERIVATIVES AS UROTENSIN II RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2002-10-03 — — WO disclosed
US-4276297-A ANTIULCER AGENTS PFIZER INC. (US) 1981-06-30 — — US 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 (4 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-20040242564-A1 1,2,3,4-tetrahydroisoquinolines derivatives ADRA2C, ADRA1D, ADRB3 KDM4C 1980/4885KDM5B 2301/4885KDM5A 2723/4885
US-20050043535-A1 4-(Piperidyl-and pyrrolidyl-alkyl-ureido)-quinolines as urotensin II receptor antagonists UTS2R, NTSR2, PLAUR KDM4C 2237/4885KDM5B 2040/4885KDM5A 2795/4885
US-20040110744-A1 1 2 3 4 Tetrahydroisoquinolines derivatives as urotensin II receptor antagonists UTS2R, NTSR2, NTSR1 KDM4C 4172/4885KDM5B 3553/4885KDM5A 4201/4885
US-20060094716-A1 1-Pyridin-4-yl-urea derivatives P2RY4, P2RX4, REN KDM4C 965/4885KDM5B 1598/4885KDM5A 1565/4885

“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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