SCHEMBL5887656

SCHEMBL5887656

CN(C)c1ccc(-c2[c]nccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
ALDH1A1 P00352 5/20 0.41
TSHR P16473 3/20 0.41
ALOX15 P16050 2/20 0.41
HSD17B10 Q99714 2/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
KMT2A Q03164 3/20 0.41
AURKA O14965 1/20 0.40
CYP1A2 P05177 3/20 0.39
CHRM5 P08912 1/20 0.39
CHKA P35790 1/20 0.39
KDM4E B2RXH2 4/20 0.39
SYK P43405 2/20 0.38
HPGD P15428 3/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
APP P05067 2/20 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
SCHEMBL1515426 0.79 NISCH (0.38) SMN1; SMN2ALDH1A1NPC1RAB9AKMT2A
SCHEMBL19439 0.76 NOTUM (0.39) SMN1; SMN2ALDH1A1ALOX15NPC1RAB9A
SCHEMBL2412002 0.75 NOTUM (0.39) NPC1RAB9AKMT2ACYP1A2KDM4E
SCHEMBL4590846 0.75 MAPK14 (0.35) MAPTALDH1A1NPC1RAB9AKMT2A
SCHEMBL5066564 0.74 CLK4 (0.48) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL3816466 0.74 ALDH1A1 (0.50) MAPTSMN1; SMN2ALDH1A1TSHRALOX15
SCHEMBL5797199 0.74 MAPT (0.43) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL11229774 0.73 MAPT (0.31) MAPTSMN1; SMN2CHRM5CHKA
SCHEMBL4909130 0.72
SCHEMBL5531426 0.69 ALDH1A1 (0.44) MAPTSMN1; SMN2ALDH1A1TSHRALOX15

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-7037931-B2 Corticotropin releasing factor moderator; analgesics; drug abruse, drug dependency; schizophrenia JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-02 US claimed
US-20060004195-A1 Alpha,beta-unsaturated esters and acids by stereoselective dehydration JANSSEN PHARMACEUTICA N.V. (BE) 2006-01-05 US disclosed
US-20050026903-A1 CCK-1 receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-03 US disclosed
US-4341894-A 2,4,6 TRI-SUBSTITUTED PYRYLIUM DYE SALTS EASTMAN KODAK COMPANY (US) 1982-07-27 US disclosed
US-4167412-A COMPRISING A PYRYLIUM OR THIOPYRYLIUM SALT EASTMAN KODAK COMPANY (US) 1979-09-11 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-20060004195-A1 Alpha,beta-unsaturated esters and acids by stereoselective dehydration CCKAR, CCKBR, FFAR1 MAPT 4782/4885SMN1; SMN2 4607/4885ALDH1A1 597/4885
US-20050026903-A1 CCK-1 receptor modulators CCKAR, CCKBR, GLP1R MAPT 4745/4885SMN1; SMN2 4633/4885ALDH1A1 1501/4885

“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.