SCHEMBL5887491

SCHEMBL5887491

CN(C)c1ccc([CH]c2ccncc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.77
SMN1; SMN2 Q16637 4/20 0.77
MEN1 O00255 4/20 0.77
KMT2A Q03164 4/20 0.77
ALOX15 P16050 3/20 0.77
CASP1 P29466 2/20 0.77
HBB P68871 2/20 0.77
NPC1 O15118 1/20 0.77
RAB9A P51151 1/20 0.77
CHRM5 P08912 1/20 0.62
CHKA P35790 1/20 0.62
CYP2A6 P11509 1/20 0.50
CYP2A13 Q16696 1/20 0.50
APP P05067 5/20 0.48
ALDH1A1 P00352 3/20 0.48
HSD17B10 Q99714 2/20 0.48
TSHR P16473 1/20 0.48
MPO P05164 1/20 0.47
RELA Q04206 1/20 0.47
KDM4E B2RXH2 2/20 0.44

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
SCHEMBL532373 0.87 MAPT (1.00) MAPTSMN1; SMN2MEN1KMT2AALOX15
SCHEMBL305456 0.87 MAPT (1.00) MAPTSMN1; SMN2MEN1KMT2AALOX15
SCHEMBL6892241 0.86 ALDH1A1 (0.65) MAPTSMN1; SMN2MEN1KMT2AALOX15
Bromide SCHEMBL27884858 0.85 MAPT (0.96) MAPTSMN1; SMN2MEN1KMT2AALOX15
Bromide SCHEMBL27779245 0.85 MAPT (0.96) MAPTSMN1; SMN2MEN1KMT2AALOX15
Bromide SCHEMBL28824563 0.85 MAPT (0.96) MAPTSMN1; SMN2MEN1KMT2AALOX15
Hydrochloric Acid SCHEMBL9803944 0.85 MAPT (0.96) MAPTSMN1; SMN2MEN1KMT2AALOX15
Hydrochloric Acid SCHEMBL9803942 0.85 MAPT (0.96) MAPTSMN1; SMN2MEN1KMT2AALOX15
SCHEMBL8664726 0.78 CHRM5 (1.00) MAPTSMN1; SMN2MEN1KMT2AALOX15
SCHEMBL189 0.78

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 4 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-20050020565-A1 Pyrazole compound; gastrointestinal disorders; central nervous system disorders JONES TODD K (US) 2005-01-27 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 (3 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-20050020565-A1 Pyrazole compound; gastrointestinal disorders; central nervous system disorders CCKAR, CCKBR, NPY1R MAPT 2577/4885SMN1; SMN2 1459/4885MEN1 1705/4885
US-20060004195-A1 Alpha,beta-unsaturated esters and acids by stereoselective dehydration CCKAR, CCKBR, FFAR1 MAPT 4782/4885SMN1; SMN2 4607/4885MEN1 4171/4885
US-20050026903-A1 CCK-1 receptor modulators CCKAR, CCKBR, GLP1R MAPT 4745/4885SMN1; SMN2 4633/4885MEN1 2294/4885

“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.