SCHEMBL3735109

SCHEMBL3735109

COc1ccc(CCC(N)c2ccc(F)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.58
CYP2D6 P10635 2/20 0.58
CYP2C19 P33261 2/20 0.58
KDM4E B2RXH2 3/20 0.57
MAPK1 P28482 3/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
L3MBTL1 Q9Y468 3/20 0.57
MAPT P10636 2/20 0.57
POLB P06746 1/20 0.57
ALDH1A1 P00352 3/20 0.52
HTT P42858 2/20 0.52
ESR2 Q92731 1/20 0.52
HSD17B10 Q99714 1/20 0.52
MITF O75030 1/20 0.52
LMNA P02545 1/20 0.52
CNR1 P21554 1/20 0.52
CNR2 P34972 1/20 0.52
GPR35 Q9HC97 1/20 0.52
GPR55 Q9Y2T6 1/20 0.52

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
SCHEMBL3734743 0.84 CYP1A2 (0.58) CYP1A2CYP2D6CYP2C19KDM4EMEN1
SCHEMBL3734984 0.84 CYP1A2 (0.58) CYP1A2CYP2D6CYP2C19KDM4EMEN1
SCHEMBL7039221 0.84 CYP1A2 (0.83) CYP1A2CYP2D6CYP2C19KDM4EMAPK1
SCHEMBL1162783 0.84 CYP1A2 (0.57) CYP1A2CYP2D6CYP2C19KDM4EMEN1
SCHEMBL3732187 0.84 MEN1 (0.60) CYP1A2CYP2D6CYP2C19KDM4EMEN1
SCHEMBL3730922 0.84 MEN1 (0.60) CYP1A2CYP2D6CYP2C19KDM4EMEN1
Hydrochloric Acid SCHEMBL3732114 0.83 CYP1A2 (0.57) CYP1A2CYP2D6CYP2C19KDM4EMEN1
Hydrochloric Acid SCHEMBL3734803 0.82 MEN1 (0.59) CYP1A2CYP2D6CYP2C19KDM4EMEN1
SCHEMBL7474018 0.79 KDM4E (0.60) KDM4EMAPK1MEN1KMT2AL3MBTL1
SCHEMBL3732869 0.79 CYP1A2 (0.51) CYP1A2CYP2D6CYP2C19KDM4EMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9938525-B2 Compositions and methods for selective delivery of oligonucleotide molecules to cell types NLIFE THERAPEUTICS, S.L. (ES) 2018-04-10 US disclosed
US-20150315575-A1 COMPOSITIONS AND METHODS FOR SELECTIVE DELIVERY OF OLIGONUCLEOTIDE MOLECULES TO CELL TYPES PALOMO LIMITED (CY) 2015-11-05 US disclosed
EP-2114867-B1 AMINOAMIDES AS OREXIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-12-12 EP disclosed
US-7829563-B2 Aminoamides as orexin antagonists HOFFMANN-LA ROCHE INC. (US) 2010-11-09 US disclosed
US-20080221166-A1 AMINOAMIDES AS OREXIN ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2008-09-11 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-20150315575-A1 COMPOSITIONS AND METHODS FOR SELECTIVE DELIVERY OF OLIGONUCLEOTIDE MOLECULES TO CELL TYPES MSR1, HAVCR2, SNRPE CYP1A2 4881/4885CYP2D6 4859/4885CYP2C19 4882/4885
US-20080221166-A1 AMINOAMIDES AS OREXIN ANTAGONISTS HCRTR1, HCRTR2, HRH3 CYP1A2 1026/4885CYP2D6 2773/4885CYP2C19 2235/4885

“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.