SCHEMBL6567499

SCHEMBL6567499

COc1ccc2c(c1)C(O)(CN)CCC2

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.48
SIGMAR1 Q99720 4/20 0.47
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
CYP3A4 P08684 1/20 0.44
POLA1 P09884 4/20 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
SCHEMBL9628555 0.91 SIGMAR1 (0.45) KDM1ASIGMAR1CYP2C19CYP2C9TSHR
SCHEMBL11077411 0.90 KDM1A (0.57) KDM1ASIGMAR1CYP2C19CYP3A4
SCHEMBL988682 0.82 SIGMAR1 (0.44) KDM1ASIGMAR1CYP2C19CYP2C9TSHR
SCHEMBL30869923 0.82 SIGMAR1 (0.44) KDM1ASIGMAR1CYP2C19CYP2C9TSHR
SCHEMBL11082282 0.81 CYP3A4 (0.39) KDM1ACYP2C19CYP3A4POLA1
SCHEMBL3896827 0.80 SIGMAR1 (0.36) KDM1ASIGMAR1
SCHEMBL14857215 0.79 MTNR1A (0.49)
SCHEMBL4984411 0.78 POLA1 (0.51) KDM1ASIGMAR1CYP2C19CYP2C9TSHR
SCHEMBL29587519 0.78 POLA1 (0.51) KDM1ASIGMAR1CYP2C19CYP2C9TSHR
SCHEMBL4911889 0.78 OPRM1 (0.42) KDM1ASIGMAR1CYP2C19CYP2C9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040198791-A1 Fused imidazole derivative FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-10-07 US disclosed
EP-1403256-A1 FUSED IMIDAZOLE DERIVATIVE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-03-31 EP disclosed
EP-0583485-B1 ETHANOLAMINE DERIVATIVES HAVING SYMPATHOMIMETIC AND ANTI-POLLAKIURIA ACTIVITIES FUJISAWA PHARMACEUTICAL CO (JP) 1997-08-13 EP disclosed
US-5387710-A Ethanolamine derivatives having sympathomimetic and anti-pollakiuria activities FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-02-07 US disclosed
EP-0583485-A1 ETHANOLAMINE DERIVATIVES HAVING SYMPATHOMIMETIC AND ANTI-POLLAKIURIA ACTIVITIES. FUJISAWA PHARMACEUTICAL CO (JP) 1994-02-23 EP disclosed
WO-1993015041-A1 ETHANOLAMINE DERIVATIVES HAVING SYMPATHOMIMETIC AND ANTI-POLLAKIURIA ACTIVITIES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-08-05 WO disclosed
US-4473586-A Aminoalkyl dihydronaphthalenes ABBOTT LABORATORIES (US) 1984-09-25 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-20040198791-A1 Fused imidazole derivative H1-0, H1-5, H1-3 KDM1A 2636/4885SIGMAR1 1826/4885CYP2C19 484/4885

“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.