SCHEMBL1979292

SCHEMBL1979292

c1cc(OCC2CO2)c2cccnc2c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
GLA P06280 1/20 0.51
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HIF1A Q16665 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
HTR1A P08908 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
SYK P43405 5/20 0.41
NR3C1 P04150 3/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
FABP5 Q01469 1/20 0.39
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
CACNA2D1 P54289 1/20 0.38

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
SCHEMBL1979289 1.00 ALDH1A1 (0.51) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL8069764 1.00 ALDH1A1 (0.51) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL35864709 1.00 ALDH1A1 (0.51) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL3266008 0.89 ALDH1A1 (0.53) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL3266005 0.89 ALDH1A1 (0.53) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL14347222 0.89 ALDH1A1 (0.53) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL8068884 0.85 HTR1A (0.43) HTR1AHTR1DHTR1BNR3C1KDM4E
SCHEMBL729501 0.84 ALDH1A1 (0.65) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL21254543 0.82 HTR2A (0.58) CYP3A4HTR1AHTR1DHTR1B
SCHEMBL9460053 0.79 ALDH1A1 (0.49) ALDH1A1GLATP53CYP3A4TSHR

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 93 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1622873-B1 METHOD FOR PRODUCING RAC-1-{4-[2-HYDROXY-3-(5-QUINOLYLOXY)PROPYL]-PIPERAZIN-1-YL}-2,2-DIPHENYLETHAN-1-ONE FUMARATE BAYER SCHERING PHARMA AG (DE) 2010-01-13 EP claimed
US-7462718-B2 Process for the production of high-purity rac-1-{4-[2-hydroxy-3-(5-quinolyloxy)propyl]-piperazin-1-yl}-2,2-diphenylethan-1-one fumarate and high-purity rac-1-{4-[2-hydroxy-3-(5-quinolyloxy)propyl]piperazin-1-yl}-2,2-diphenylethan-1-one fumarate SCHERING AG (DE) 2008-12-09 US claimed
EP-1622873-A1 METHOD FOR PRODUCING THE PUREST RAC-1- {4-[2-HYDROXY-3-(5-QUINOLYLOXY)PROPYL] PIPERAZIN-1-YL} -2,2-DIPHENYLETHAN-1-ONE FUMARATE AND THE PUREST RAC-1-{ 4-[ 2-HYDROXY-3-(5-QUINOLYLOXY)PROPYL]PIPERAZIN-1-YL} -2,2-DIPHENYLETHAN-1-ONE FUMARATE Schering Aktiengesellschaft (DE) 2006-02-08 EP claimed
US-20050014945-A1 Process for the production of high-purity rac-1-{4-[2-hydroxy-3-(5-quinolyloxy)propyl]-piperazin-1-yl}-2,2-diphenylethan-1-one fumarate and high-purity rac-1-{4-[2-hydroxy-3-(5-quinolyloxy)propyl]piperazin-1-yl}-2,2-diphenylethan-1-one fumarate BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-01-20 US claimed
WO-2004099151-A1 METHOD FOR PRODUCING THE PUREST RAC-1-{4-[2-HYDROXY-3-(5-QUINOLYLOXY)PROPYL] PIPERAZIN-1-YL}-2,2-DIPHENYLETHAN-1-ONE FUMARATE AND THE PUREST RAC-1-{4-[2-HYDROXY-3-(5-QUINOLYLOXY)PROPYL]PIPERAZIN-1-YL}-2,2-DIPHENYLETHAN-1-ONE FUMARATE SCHERING AKTIENGESELLSCHAFT (DE) 2004-11-18 WO claimed
EP-1198462-B1 PROCESS FOR PREPARING A 10,11-METHANODIBENZOSUBERANE DERIVATIVE LILLY CO ELI (US) 2004-09-29 EP claimed
US-6570016-B1 Therapy for drug resistant cancer ELI LILLY AND COMPANY 2003-05-27 US claimed
EP-0695293-B1 10,11-METHANODIBENZOSUBERANE DERIVATIVES USED AS CHEMOSENSITIZING AGENTS SYNTEX INC (US) 1998-10-14 EP claimed
EP-0695293-A1 10,11-METHANODIBENZOSUBERANE DERIVATIVES USED AS CHEMOSENSITIZING AGENTS SYNTEX (U.S.A.) INC. (US) 1996-02-07 EP claimed
WO-1994024107-A1 10,11-METHANODIBENZOSUBERANE DERIVATIVES USED AS CHEMOSENSITIZING AGENTS SYNTEX (U.S.A.) INC. (US) 1994-10-27 WO claimed
JP-4356466-A None JP disclosed
JP-5043550-A None JP disclosed
JP-6041105-A None JP disclosed
JP-4235983-A None JP disclosed
US-20130331395-A1 BRIDGED ARYL PIPERAZINES DERIVATIVES USEFUL FOR THE TREATMENT OF CNS, GI-URINARY AND REPRODUCTIVE DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2013-12-12 US disclosed
JP-H04356466-A NEW QUINOLINE DERIVATIVE AND CARCINOSTATIC AGENT EFFECT ENHANCER CONTAINING THE DERIVATIVE AS ACTIVE INGREDIENT MITSUI TOATSU CHEM INC 1992-12-10 JP disclosed
JP-H04235983-A NOVEL QUINOLINE DERIVATIVE AND CARCINOSTATIC EFFECT-ENHANCING AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT MITSUI TOATSU CHEM INC 1992-08-25 JP disclosed
US-5112817-A Anticancer Drug Potentiators MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1992-05-12 US disclosed
EP-0363212-A2 Novel heterocyclic compounds and anticancer-drug reinforcing agents containing them as effective components MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-04-11 EP disclosed
JP-H00543550-A 0001-01-01 JP 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-20130331395-A1 BRIDGED ARYL PIPERAZINES DERIVATIVES USEFUL FOR THE TREATMENT OF CNS, GI-URINARY AND REPRODUCTIVE DISORDERS HTR1A, HTR5A, TPH1 ALDH1A1 66/4885GLA 3840/4885TP53 4762/4885
US-20050014945-A1 Process for the production of high-purity rac-1-{4-[2-hydroxy-3-(5-quinolyloxy)propyl]-piperazin-1-yl}-2,2-diphenylethan-1-one fumarate and high-purity rac-1-{4-[2-hydroxy-3-(5-quinolyloxy)propyl]piperazin-1-yl}-2,2-diphenylethan-1-one fumarate RAC1, FIS1, RHOT2 ALDH1A1 1663/4885GLA 3860/4885TP53 3216/4885

“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.