SCHEMBL3527972

SCHEMBL3527972

COc1ccc2c(c1)C[C@@H](C)N2Cc1c[nH]cn1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.38
MTNR1B P49286 3/20 0.38
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
STAT3 P40763 1/20 0.36
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
TSHR P16473 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 1/20 0.35
NOTUM Q6P988 1/20 0.34
AADAT Q8N5Z0 1/20 0.34
DRD2 P14416 1/20 0.33
DRD3 P35462 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
SCHEMBL3527970 1.00 MTNR1A (0.38) MTNR1AMTNR1BKMT2AKDM4EMEN1
SCHEMBL3527973 1.00 MTNR1A (0.38) MTNR1AMTNR1BKMT2AKDM4EMEN1
SCHEMBL3524723 0.83 ALDH1A1 (0.43) KMT2AKDM4EMEN1ALDH1A1ALOX15
SCHEMBL3527084 0.83 ROCK1 (0.42) KMT2AKDM4EMEN1ALDH1A1ALOX15
SCHEMBL3524729 0.83 ALDH1A1 (0.43) KMT2AKDM4EMEN1ALDH1A1ALOX15
SCHEMBL3527087 0.83 ROCK1 (0.42) KMT2AKDM4EMEN1ALDH1A1ALOX15
SCHEMBL3524725 0.83 ALDH1A1 (0.43) KMT2AKDM4EMEN1ALDH1A1ALOX15
SCHEMBL3527082 0.83 ROCK1 (0.42) KMT2AKDM4EMEN1ALDH1A1ALOX15
SCHEMBL3524895 0.80 KMT2A (0.47) KMT2AKDM4EMEN1ALDH1A1ALOX15
SCHEMBL3524896 0.80 KMT2A (0.47) KMT2AKDM4EMEN1ALDH1A1ALOX15

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-7858652-B2 Substituted 4-imidazoles HOFFMANN-LA ROCHE INC. (US) 2010-12-28 US claimed
US-20080139533-A1 SUBSTITUTED 4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 US claimed
US-7858652-B2 Substituted 4-imidazoles HOFFMANN-LA ROCHE INC. (US) 2010-12-28 US disclosed
US-20080139533-A1 SUBSTITUTED 4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 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 (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-20080139533-A1 SUBSTITUTED 4-IMIDAZOLES TAAR1, TAAR5, TACR1 MTNR1A 29/4885MTNR1B 50/4885KMT2A 995/4885

“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.