SCHEMBL3517604

SCHEMBL3517604

COc1nc2c(c(=O)[nH]1)CCCC2

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TNKS O95271 6/20 0.49
TNKS2 Q9H2K2 6/20 0.49
HPGD P15428 3/20 0.49
PARP10 Q53GL7 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
DCTPP1 Q9H773 2/20 0.46
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 2/20 0.45
TSHR P16473 2/20 0.45
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL7783308 0.77 PARP1 (0.65) TNKSTNKS2PARP10PARP2
SCHEMBL3122203 0.76 PARP1 (0.59) TNKSTNKS2HPGDMAPTSMN1; SMN2
SCHEMBL3425926 0.72 HPGD (0.53) TNKSTNKS2HPGDMAPTSMN1; SMN2
SCHEMBL15599438 0.72 HPGD (0.53) TNKSTNKS2HPGDMAPTSMN1; SMN2
SCHEMBL10150407 0.72 PARP1 (0.59) HPGDMAPTSMN1; SMN2POLBNPC1
SCHEMBL10568181 0.72 HPGD (0.53) TNKSTNKS2HPGDMAPTSMN1; SMN2
SCHEMBL26017824 0.72 HPGD (0.53) TNKSTNKS2HPGDMAPTSMN1; SMN2
SCHEMBL12030971 0.71 MAPT (0.53) TNKSTNKS2HPGDMAPTSMN1; SMN2
SCHEMBL31128640 0.71 HPGD (0.49) TNKSTNKS2HPGDMAPTSMN1; SMN2
SCHEMBL12050029 0.71 POLB (0.52) HPGDMAPTSMN1; SMN2POLBNPC1

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 11 patents. 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
EP-2241567-A1 BICYCLOAMINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2010-10-20 EP disclosed
EP-2241567-A1 BICYCLOAMINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2010-10-20 EP 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

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 TNKS 3488/4885TNKS2 3545/4885HPGD 2186/4885
US-20090270369-A1 BICYCLOAMINE DERIVATIVES SCN1B, KCNJ2, KCNH2 TNKS 3488/4885TNKS2 3545/4885HPGD 2186/4885

“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.