SCHEMBL10173678

SCHEMBL10173678

CCC(=O)N[C@H]1CN[C@H](c2nc3ccc(Cc4ccccc4)cc3[nH]2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GID4 Q8IVV7 3/20 0.43
SCN10A Q9Y5Y9 1/20 0.41
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
USP2 O75604 1/20 0.39
GSK3B P49841 1/20 0.38
FASN P49327 1/20 0.38
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
TSHR P16473 1/20 0.35
HDAC6 Q9UBN7 2/20 0.35
PIN1 Q13526 1/20 0.35
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR3 P22607 1/20 0.34

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
SCHEMBL14899093 0.94 GID4 (0.44) GID4SCN10AMTNR1AMTNR1BUSP2
SCHEMBL7732752 0.91 GID4 (0.41) GID4SCN10AUSP2GSK3BMAPK1
SCHEMBL2067985 0.83 GID4 (0.41) GID4SCN10AUSP2GSK3BMAPK1
SCHEMBL7733339 0.83 GID4 (0.41) GID4SCN10AUSP2GSK3BMAPK1
SCHEMBL7732464 0.76 SCN10A (0.42) SCN10AUSP2ALDH1A1ALOX15GRIN1
SCHEMBL7729028 0.74 SMYD3 (0.41) GID4USP2GSK3BGAAPKM
SCHEMBL7729522 0.73 LPAR2 (0.42) MAPK1ALDH1A1TSHRHDAC6
SCHEMBL8144435 0.71 CACNA1G (0.40) MAPK1GRIN1GRIN2BGAAPKM
SCHEMBL21436230 0.71 ALDH1A1 (0.41) ALDH1A1ALOX15
SCHEMBL7731211 0.71 ALDH1A1 (0.41) ALDH1A1ALOX15

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148401-B2 Benzimidazole derivatives PFIZER INC. (US) 2012-04-03 US disclosed
US-20090005416-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2009-01-01 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-20090005416-A1 BENZIMIDAZOLE DERIVATIVES BOD1L1, H1-3, BRIX1 GID4 3978/4885SCN10A 3546/4885MTNR1A 3029/4885

“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.