SCHEMBL7213715

SCHEMBL7213715

O=C(Cl)C1CCc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 5/20 0.58
KCNQ2 O43526 1/20 0.47
IDH1 O75874 1/20 0.43
IDO1 P14902 2/20 0.43
ALDH1A1 P00352 2/20 0.43
PDPK1 O15530 1/20 0.43
CRBN Q96SW2 1/20 0.43
ACP3 P15309 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TAS1R2 Q8TE23 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
XBP1 P17861 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL30070890 1.00 PIN1 (0.58) PIN1KCNQ2IDH1IDO1ALDH1A1
SCHEMBL31391124 0.89 ALDH1A1 (0.51) PIN1IDO1ALDH1A1CRBNTAS1R3
SCHEMBL13240611 0.89 ALDH1A1 (0.51) PIN1IDO1ALDH1A1CRBNTAS1R3
SCHEMBL2994517 0.89 ALDH1A1 (0.51) PIN1IDO1ALDH1A1CRBNTAS1R3
SCHEMBL2994523 0.89 ALDH1A1 (0.51) PIN1IDO1ALDH1A1CRBNTAS1R3
SCHEMBL4830828 0.84 PIN1 (0.62) PIN1KCNQ2IDO1PDPK1CRBN
SCHEMBL907688 0.82 PIN1 (0.60) PIN1KCNQ2IDO1PDPK1ACP3
SCHEMBL2790690 0.82 PIN1 (0.60) PIN1KCNQ2IDO1PDPK1ACP3
SCHEMBL12431131 0.82 PIN1 (0.60) PIN1KCNQ2IDO1PDPK1ACP3
SCHEMBL1400973 0.82 PIN1 (0.60) PIN1KCNQ2IDO1PDPK1ACP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115466209-A Synthesis method of ropinirole cyclopentanoindolone impurity 南通大学 2022-12-13 CN claimed
CN-115466209-A Synthesis method of ropinirole cyclopentanoindolone impurity 南通大学 2022-12-13 CN disclosed
CN-102746239-B Uracil or thymine derivatives for the treatment of hepatitis C ABBVIE INC. (BS) 2016-02-10 CN disclosed
CN-104628654-A ANTI-INFECTIVE PYRIMIDINES AND USES THEREOF ABBVIE BAHAMAS LTD 2015-05-20 CN disclosed
CN-104628655-A ANTI-INFECTIVE PYRIMIDINES AND USES THEREOF ABBVIE BAHAMAS LTD 2015-05-20 CN disclosed
CN-101842360-B Anti-infective pyrimidines and uses thereof ABBVIE BAHAMAS LTD 2014-12-17 CN disclosed
US-6552044-B2 Dopamine receptors H. LUNDBECK A/S (DK) 2003-04-22 US disclosed
EP-0946542-B1 INDANE OR DIHYDROINDOLE DERIVATIVES LUNDBECK & CO AS H (DK) 2002-10-09 EP disclosed
US-6352988-B2 HIGH AFFINITY FOR D4 RECEPTORS; TREATMENT OF SCHIZOPHRENIA, OTHER PSYCHOSES, ANXIETY DISORDERS, DEPRESSION, ALCOHOL ABUSE, IMPULSE CONTROL DISORDERS, AGGRESSION H. LUNDBECK A/S (DK) 2002-03-05 US disclosed
US-20010021777-A1 Indane or dihydroindole derivatives H. LUNDBECK A/S (DK) 2001-09-13 US disclosed
CN-1079741-A The preparation method of analgesic carboxylic acid amide derivatives SANKYO CO (JP) 1993-12-22 CN disclosed
CN-1079740-A The preparation method of analgesic carboxylic acid amide derivatives SANKYO CO (JP) 1993-12-22 CN disclosed
CN-1078461-A The preparation method of analgesic carboxylic acid amide derivatives SANKYO CO (JP) 1993-11-17 CN disclosed
CN-1022185-C Process for preparing analgesic carboxylic acid amide derivatives SANKYO CO (JP) 1993-09-22 CN disclosed
US-4957914-A ANTIDEPRESSANTS, ANXIOLYTICS, HYPOTENSIVE AGENTS SYNTEX (U.S.A.) INC. (US) 1990-09-18 US disclosed
CN-1040791-A ANALGESIC CARBOXYLIC ACID AMIDE DERIVATIVES SANKYO CO (JP) 1990-03-28 CN disclosed
EP-0356247-A1 Analgesic carboxylic acid amide derivatives Sankyo Company Limited (JP) 1990-02-28 EP disclosed
EP-0056271-B1 CARBOXYLIC ACID ESTERS AND INSECTICIDAL AND/OR ACARICIDAL COMPOSITIONS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-05-07 EP disclosed
US-4480118-A Carboxylic acid ester and an insecticidal and/or acaricidal composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-10-30 US disclosed
EP-0056271-A2 Carboxylic acid esters and insecticidal and/or acaricidal compositions SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-07-21 EP 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-20010021777-A1 Indane or dihydroindole derivatives HTR4, GPR4, GPR174 PIN1 944/4885KCNQ2 1095/4885IDH1 1022/4885

“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.