SCHEMBL8106889

SCHEMBL8106889

c1ccc(COc2cnc(N3CCNCC3)nc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.67
SLC6A2 P23975 4/20 0.57
SLC6A3 Q01959 4/20 0.57
HTR1A P08908 2/20 0.57
SLC6A4 P31645 2/20 0.57
HTR6 P50406 1/20 0.51
KIT P10721 2/20 0.51
PRMT5 O14744 4/20 0.50
ALDH1A1 P00352 2/20 0.49
NTRK1 P04629 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
HSD17B10 Q99714 1/20 0.49
KDM4E B2RXH2 1/20 0.47
EGFR P00533 1/20 0.47

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 SCHEMBL28668744 0.99 TAAR1 (0.65) TAAR1SLC6A2SLC6A3HTR1ASLC6A4
SCHEMBL21550896 0.95 TAAR1 (0.60) TAAR1SLC6A2SLC6A3HTR1ASLC6A4
SCHEMBL15952657 0.86 KIT (0.54) TAAR1KITALDH1A1SLC6A7ALKBH1
SCHEMBL2309052 0.86 NTRK1 (0.64) TAAR1SLC6A2SLC6A3HTR1ASLC6A4
SCHEMBL15953346 0.85 KIT (0.53) TAAR1KITALDH1A1HSD17B10SLC6A7
SCHEMBL26077214 0.85 KIT (0.53) TAAR1KITALDH1A1HSD17B10SLC6A7
SCHEMBL21551599 0.85 TAAR1 (0.49) TAAR1SLC6A2SLC6A3HTR1ASLC6A4
Hydrochloric Acid SCHEMBL22411589 0.85 NTRK1 (0.63) TAAR1SLC6A2SLC6A3HTR1ASLC6A4
SCHEMBL28927093 0.82 CYP11B2 (0.62) KITPRMT5ALDH1A1HPGDHSD17B10
SCHEMBL18740315 0.81 NTRK1 (0.60) TAAR1SLC6A2SLC6A3HTR1ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011110488-A1 A NOVEL PET IMAGING AGENT OF AMYLOID PLAQUES AND ITS PRECURSOR BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-09-15 WO disclosed
WO-2011110511-A1 SPECT IMAGING AGENTS OF AMYLOID PLAQUES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-09-15 WO disclosed
WO-2011030139-A1 4- (PYRIMIDIN-2-YL) -PIPERAZINE AND 4- (PYRIMIDIN-2-YL) -PIPERIDINE DERIVATIVES AS GPR119 MODULATORS ASTRAZENECA AB (SE) 2011-03-17 WO disclosed
US-20110065706-A1 Therapeutic Agents 812 ASTRAZENECA AB (SE) 2011-03-17 US disclosed
US-20110065706-A1 Therapeutic Agents 812 ASTRAZENECA AB (SE) 2011-03-17 US disclosed
EP-0610140-B1 2-[4-(4-Azolylbutyl)-1-piperazinyl]-5-hydroxypyrimidin derivatives, their preparation and their use as medicines ESTEVE LABOR DR (ES) 2000-01-12 EP disclosed
US-5444059-A Anxiolytic agents LABORATORIOS DEL. DR. ESTEVE, S.A. (ES) 1995-08-22 US disclosed
EP-0610140-A1 2- 4-(4-Azolylbutyl)-1-piperazinyl -5-hydroxypyrimidin derivatives, their preparation and their use als medicines LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1994-08-10 EP disclosed
EP-0200968-B1 SUCCINIMIDE DERIVATIVES, THEIR PRODUCTION AND USE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1990-08-29 EP disclosed
US-4843078-A ANXIOLYTIC AGENTS SUMITONO PHARMACEUTICAL COMPANY, LIMITED (JP) 1989-06-27 US disclosed
EP-0200968-A1 Succinimide derivatives, their production and use SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1986-11-12 EP disclosed
US-4423049-A TRANQUILIZERS MEAD JOHNSON & COMPANY (US) 1983-12-27 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 (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-20110065706-A1 Therapeutic Agents 812 GPR119, GPR84, GPR132 TAAR1 263/4885SLC6A2 492/4885SLC6A3 1348/4885

“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.