SCHEMBL3785984

SCHEMBL3785984

Cc1nc2n(c(=O)c1CCO)CCS2

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
ALDH1A1 P00352 5/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
XDH P47989 2/20 0.41
MAPT P10636 5/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 2/20 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
SCHEMBL7318656 0.92 ALDH1A1 (0.51) GAACYP2C9CYP2C19ALDH1A1KMT2A
SCHEMBL10924999 0.87 CYP2C19 (0.45) GAACYP2C9CYP2C19ALDH1A1KMT2A
SCHEMBL10922397 0.85 CYP2C19 (0.44) GAACYP2C9CYP2C19ALDH1A1KMT2A
Bromide SCHEMBL7142006 0.84 CYP2C19 (0.43) GAACYP2C9CYP2C19ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL7291893 0.84 CYP2C19 (0.43) GAACYP2C9CYP2C19ALDH1A1KMT2A
SCHEMBL3618682 0.79 CYP2C9 (0.39) GAACYP2C9CYP2C19ALDH1A1KMT2A
SCHEMBL8804527 0.78 ALDH1A1 (0.52) CYP2C9CYP2C19ALDH1A1KMT2ASMN1; SMN2
SCHEMBL7318796 0.77 ALDH1A1 (0.51) CYP2C9CYP2C19ALDH1A1KMT2ASMN1; SMN2
SCHEMBL16561279 0.76 ALDH1A1 (0.50) GAACYP2C9CYP2C19ALDH1A1KMT2A
Bromide SCHEMBL9747692 0.76 ALDH1A1 (0.50) CYP2C9CYP2C19ALDH1A1KMT2ASMN1; SMN2

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
US-8252810-B2 Bicycloamine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-28 US disclosed
US-8252810-B2 Bicycloamine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-28 US disclosed
US-8252810-B2 Bicycloamine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-28 US disclosed
US-20100331310-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-30 US disclosed
US-20100331310-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-30 US disclosed
US-20100331310-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-30 US disclosed
US-20090270369-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 US disclosed
US-20090270369-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 US disclosed
US-20090270369-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 US disclosed
WO-2009101917-A1 BICYCLOAMINE DERIVATIVE EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-08-20 WO disclosed
EP-0196132-A2 1,2-Benzisoxazol-3-yl and 1,2-benzisothiazol-3-yl derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1986-10-01 EP disclosed
EP-0070053-B1 NOVEL BICYCLIC PYRIMIDIN-5-ONE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1986-04-16 EP disclosed
US-4581171-A ANTISEROTONINE AGENTS JANSSEN PHARMACEUTICA, N.V. (BE) 1986-04-08 US disclosed
US-4548938-A PSYCHOTROPIC AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 1985-10-22 US disclosed
US-4533665-A SEROTONIN ANTAGONIST JANSSEN PHARMACEUTICA (BE) 1985-08-06 US disclosed
US-4529727-A Pyrimido[2,1-b][1,3]-thiazines JANSSEN PHARMACEUTICAL, N.V. (BE) 1985-07-16 US disclosed
EP-0144101-A2 Bicyclic heterocyclyl containing N-(bicyclic heterocyclyl)-4-piperidinamines JANSSEN PHARMACEUTICA N.V. (BE) 1985-06-12 EP disclosed
US-4485107-A SEDATIVES, MUSCLE RELAXANTS JANSSEN PHARMACEUTICA N.V. (BE) 1984-11-27 US disclosed
EP-0110435-A1 Novel ((bis(aryl)methylene)-1-piperidinyl)alkyl-pyrimidinones JANSSEN PHARMACEUTICA N.V. (BE) 1984-06-13 EP disclosed
US-4443451-A PSYCHOTROPIC, ANTIHISTAMINES, ANTISEROTONINE JANSSEN PHARMACEUTICA N.V. (BE) 1984-04-17 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 (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-20100331310-A1 BICYCLOAMINE DERIVATIVES SCN1B, KCNJ2, KCNH2 GAA 4207/4885CYP2C9 357/4885CYP2C19 359/4885
US-20090270369-A1 BICYCLOAMINE DERIVATIVES SCN1B, KCNJ2, KCNH2 GAA 4207/4885CYP2C9 357/4885CYP2C19 359/4885

“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.