SCHEMBL1344385

SCHEMBL1344385

O=C(O)Cc1ccc2c(c1)C(=O)CCCO2

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.44
HRH1 P35367 2/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
FABP4 P15090 1/20 0.41
LMNA P02545 1/20 0.41
CA2 P00918 1/20 0.40
CTNNB1 P35222 1/20 0.39
WNT3A P56704 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL1162435 0.91 MAOB (0.46) AKR1B1HRH1ALDH1A1HPGDNPSR1
SCHEMBL10734183 0.89 AKR1B1 (0.53) AKR1B1ALDH1A1HPGDNPSR1RXRA
SCHEMBL10732018 0.84 ALDH1A1 (0.42) ALDH1A1HPGDNPSR1
SCHEMBL9327652 0.81 CTNNB1 (0.55) AKR1B1ALDH1A1HPGDNPSR1FABP4
SCHEMBL2977040 0.79 GRM5 (0.59) AKR1B1ALDH1A1HPGDNPSR1RAB9A
SCHEMBL7605645 0.79 ALDH1A1 (0.49) ALDH1A1HPGDLMNACTNNB1WNT3A
SCHEMBL31409465 0.79 ALDH1A1 (0.57) AKR1B1ALDH1A1HPGDNPSR1LMNA
SCHEMBL11949161 0.78 HTR1A (0.45)
SCHEMBL28840819 0.78 AKR1B1 (0.47) AKR1B1ALDH1A1HPGDNPSR1RXRA
SCHEMBL1346675 0.76 AKR1B1 (0.52) AKR1B1HPGDRXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130303786-A1 BENZYLPIPERIZINE COMPOUND DAINIPPON SUMITOMO PHARMA CO (JP) 2013-11-14 US disclosed
US-8557998-B2 Benzylpiperizine compound DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2013-10-15 US disclosed
US-20120259122-A1 BENZYLPIPERIZINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-10-11 US disclosed
US-8232405-B2 Benzylpiperizine compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-31 US disclosed
US-8063223-B2 Benzylpiperizine compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-11-22 US disclosed
US-20110118312-A1 BENZYLPIPERIZINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-05-19 US disclosed
EP-2239254-A1 BENZYLPIPERIZINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2010-10-13 EP disclosed
US-20100113792-A1 BENZYLPIPERIZINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-05-06 US disclosed
US-4701466-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTICOAGULANTS SYNTHELABO (FR) 1987-10-20 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-20130303786-A1 BENZYLPIPERIZINE COMPOUND OPRM1, GRM1, CHRM1 AKR1B1 1228/4885HRH1 291/4885ALDH1A1 1260/4885
US-20100113792-A1 BENZYLPIPERIZINE COMPOUND OPRM1, GRM1, CHRM1 AKR1B1 1228/4885HRH1 291/4885ALDH1A1 1260/4885
US-20120259122-A1 BENZYLPIPERIZINE COMPOUND OPRM1, GRM1, CHRM1 AKR1B1 1228/4885HRH1 291/4885ALDH1A1 1260/4885
US-20110118312-A1 BENZYLPIPERIZINE COMPOUND OPRM1, GRM1, CHRM1 AKR1B1 1228/4885HRH1 291/4885ALDH1A1 1260/4885

“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.