SCHEMBL645492

SCHEMBL645492

O=C1CCCc2cc(F)cc(Sc3ccccc3)c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.41
GRM5 P41594 1/20 0.40
ADORA2A P29274 1/20 0.38
MAOA P21397 8/20 0.37
MAOB P27338 8/20 0.37
CYP2A6 P11509 1/20 0.37
KDM4E B2RXH2 1/20 0.36
NSD2 O96028 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
PTGS2 P35354 1/20 0.35
PRKCI P41743 1/20 0.33
BUB1 O43683 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
POLB P06746 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL315736 0.78 GRM5 (0.38) BRD4GRM5MAOAMAOBCYP2A6
SCHEMBL6684825 0.72 MAOA (0.37) BRD4GRM5MAOAMAOBCYP2A6
SCHEMBL315656 0.71 MAOA (0.35) BRD4MAOAMAOBCYP2A6KDM4E
SCHEMBL641843 0.69 MAOA (0.40) MAOAMAOBKDM4EBUB1
SCHEMBL15509368 0.69 ALDH1A1 (0.45) ADORA2AKDM4ENSD2MAPTMAPK1
SCHEMBL23832876 0.68 MAOA (0.41) BRD4MAOAMAOBCYP2A6MAPT
SCHEMBL29961435 0.68 MAOA (0.33) BRD4MAOAMAOBCYP2A6KDM4E
SCHEMBL31127765 0.68 MAOA (0.33) BRD4MAOAMAOBCYP2A6KDM4E
SCHEMBL315261 0.68 GRM5 (0.56) GRM5MAOAMAOBCYP2A6MAPK1
SCHEMBL30558451 0.68 PTGS2 (0.46) GRM5MAOAMAOBCYP2A6PTGS2

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-9365494-B2 Process for synthesis of amino-methyl tetralin derivatives ROCHE PALO ALTO LLC (US) 2016-06-14 US disclosed
EP-2379491-B1 Process for synthesis of amino-methyl tetraline derivatives HOFFMANN LA ROCHE (CH) 2013-03-20 EP disclosed
US-20120323040-A1 PROCESS FOR SYNTHESIS OF AMINO-METHYL TETRALIN DERIVATIVES DURKIN KIERAN (US) 2012-12-20 US disclosed
US-8119842-B2 Process for synthesis of amino-methyl tetralin derivatives Roche Palo Alto LLP (US) 2012-02-21 US disclosed
EP-2379491-A1 PROCESS FOR SYNTHESIS OF AMINO-METHYL TETRALINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-10-26 EP disclosed
WO-2010069778-A1 PROCESS FOR SYNTHESIS OF AMINO-METHYL TETRALINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-06-24 WO disclosed
US-20100160682-A1 PROCESS FOR SYNTHESIS OF AMINO-METHYL TETRALIN DERIVATIVES ROCHE PALO ALTO LLC 2010-06-24 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-20100160682-A1 PROCESS FOR SYNTHESIS OF AMINO-METHYL TETRALIN DERIVATIVES PKN2, CCND2, PRMT1 BRD4 2786/4885GRM5 2114/4885ADORA2A 1470/4885
US-20120323040-A1 PROCESS FOR SYNTHESIS OF AMINO-METHYL TETRALIN DERIVATIVES PKN2, CCND2, PRMT1 BRD4 2815/4885GRM5 2206/4885ADORA2A 1598/4885

“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.