SCHEMBL6702352

SCHEMBL6702352

CC(C)(N)CNc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.46
SLC6A2 P23975 1/20 0.46
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
SIGMAR1 Q99720 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.39
CYP2D6 P10635 1/20 0.39
IDO1 P14902 1/20 0.39
PTGS2 P35354 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HTT P42858 1/20 0.36
CA12 O43570 1/20 0.36

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
SCHEMBL7945715 0.92 ALDH1A1 (0.50) TAAR1SLC6A2MAPTALDH1A1SIGMAR1
SCHEMBL3732806 0.81 MAPT (0.48) MAPTALDH1A1SIGMAR1L3MBTL1CYP1A2
SCHEMBL6698866 0.80 MAPT (0.54) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL8215128 0.79 TAAR1 (0.43) TAAR1SLC6A2MAPTHTTCA12
Hydrochloric Acid SCHEMBL17710416 0.79 MAPT (0.46) MAPTALDH1A1SIGMAR1L3MBTL1CYP1A2
SCHEMBL28998256 0.78 MAPT (0.41) TAAR1SLC6A2MAPTALDH1A1SIGMAR1
SCHEMBL6701038 0.78 KIT (0.38) MAPTALDH1A1L3MBTL1CYP3A4CYP2C9
SCHEMBL3799988 0.78 TAAR1 (0.43) TAAR1SLC6A2MAPTALDH1A1SIGMAR1
SCHEMBL14397073 0.78 CA1 (0.46) MAPTALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL10852321 0.78 SLC6A2 (0.50) SLC6A2ALDH1A1CYP1A2CYP2C9CYP2C19

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
WO-2002014324-A2 DIAZEPINONES AS ANTIVIRAL AGENTS WARNER-LAMBERT COMPANY (US) 2002-02-21 WO claimed
US-20040180925-A1 Dipeptidylpeptidase-IV inhibitor KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-09-16 US disclosed
EP-1354882-A1 DIPEPTIDYL PEPTIDASE IV INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-10-22 EP disclosed
EP-0114374-B1 SUBSTITUTED 4-AMINOMETHYLENE CHROMANS OR CHROMENES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN MEDICINES BAYER AG (DE) 1986-07-23 EP disclosed
US-4563458-A CIRCULATORY SYSTEM DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1986-01-07 US disclosed
EP-0114374-A1 Substituted 4-aminomethylene chromans or chromenes, process for their preparation and their use in medicines BAYER AG (DE) 1984-08-01 EP disclosed
EP-0029088-A2 Synthesis of 2-keto-1,4-diazacycloalkanes The B.F. GOODRICH Company (US) 1981-05-27 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-20040180925-A1 Dipeptidylpeptidase-IV inhibitor DPP4, DPP3, DPP9 TAAR1 3467/4885SLC6A2 244/4885MAPT 3376/4885

“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.