SCHEMBL2907290

SCHEMBL2907290

COc1ccc(CNc2c(C)c(C)c3c(c2C)C(c2ccc(C(C)C)cc2)C2(CCN(C)CC2)O3)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 3/20 0.34
NPC1 O15118 2/20 0.34
HRH4 Q9H3N8 4/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
GAA P10253 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
OPRM1 P35372 1/20 0.32
LMNA P02545 1/20 0.32
CCND3 P30281 1/20 0.31
CDK6 Q00534 1/20 0.31
UTS2R Q9UKP6 1/20 0.31

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
SCHEMBL2912998 0.91 HRH4 (0.35) RAB9ASMN1; SMN2ALDH1A1HRH4GAA
SCHEMBL2907929 0.90 HRH4 (0.35) SMN1; SMN2ALDH1A1HRH4GAAKDM4E
SCHEMBL4821994 0.85 TACR1 (0.35) ALDH1A1CDK2GAAKDM4EMAPT
SCHEMBL2910840 0.84 NPC1 (0.39) RAB9ASMN1; SMN2ALDH1A1NPC1GAA
SCHEMBL2905550 0.84 CCR4 (0.35) RAB9ASMN1; SMN2ALDH1A1NPC1HRH4
SCHEMBL2908030 0.83 F10 (0.38) RAB9ASMN1; SMN2ALDH1A1NPC1KDM4E
SCHEMBL4821997 0.78
SCHEMBL4042757 0.77 CYP1A2 (0.35)
SCHEMBL2911220 0.75 MAPT (0.39) RAB9ASMN1; SMN2ALDH1A1NPC1MAPT
SCHEMBL4042911 0.75 HPGD (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1481679-B1 ANTIDEPRESSANT TAKEDA PHARMACEUTICAL (JP) 2010-08-25 EP disclosed
US-20050148650-A1 Antidepressant TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-07-07 US disclosed
EP-1481679-A1 ANTIDEPRESSANT Takeda Chemical Industries, Ltd. (JP) 2004-12-01 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-20050148650-A1 Antidepressant AKT1S1, AKT1, AKT2 RAB9A 1372/4885SMN1; SMN2 3766/4885ALDH1A1 3081/4885

“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.