SCHEMBL10126099

SCHEMBL10126099

Fc1cccc(Sc2ccc3c(c2)CCCC3)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
KMT2A Q03164 3/20 0.41
NFKB1 P19838 2/20 0.41
HTT P42858 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4C Q9H3R0 2/20 0.41
HAO1 Q9UJM8 1/20 0.41
MEN1 O00255 1/20 0.39
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
ADCY8 P40145 1/20 0.36
ADCY1 Q08828 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL22681700 0.84 NPC1 (0.42) NPC1RAB9ACASP3SENP7KMT2A
SCHEMBL14376846 0.82 TSHR (0.46) NPC1RAB9AKMT2ANFKB1HTT
SCHEMBL30299282 0.82 TSHR (0.46) NPC1RAB9AKMT2ANFKB1HTT
SCHEMBL642086 0.80 MAOA (0.54) KDM4C
SCHEMBL17374769 0.80 KDM4C (0.40) NPC1RAB9ACASP3SENP7KDM4C
SCHEMBL22681949 0.79 HTR2C (0.44) NPC1RAB9ASMN1; SMN2KDM4CHTR2C
SCHEMBL30832955 0.79 ALDH1A1 (0.43) NPC1RAB9AKMT2ANFKB1HTT
SCHEMBL482240 0.79 HAO1 (0.55) NPC1RAB9AHAO1
SCHEMBL22681771 0.79 KDM4C (0.41) NPC1RAB9ACASP3SENP7KDM4C
SCHEMBL7938436 0.75 HAO1 (0.49) KMT2AHAO1MEN1HTR2CMGLL

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
EP-3160952-B1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2020-12-02 EP disclosed
EP-3741749-A1 HISTONE DEMETHYLASE INHIBITORS Celgene Quanticel Research, Inc. (US) 2020-11-25 EP disclosed
EP-3738960-A1 HISTONE DEMETHYLASE INHIBITORS Celgene Quanticel Research, Inc. (US) 2020-11-18 EP disclosed
US-8119842-B2 Process for synthesis of amino-methyl tetralin derivatives Roche Palo Alto LLP (US) 2012-02-21 US disclosed
US-20100160682-A1 PROCESS FOR SYNTHESIS OF AMINO-METHYL TETRALIN DERIVATIVES ROCHE PALO ALTO LLC 2010-06-24 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-20100160682-A1 PROCESS FOR SYNTHESIS OF AMINO-METHYL TETRALIN DERIVATIVES PKN2, CCND2, PRMT1 NPC1 3667/4885RAB9A 1657/4885CASP3 4088/4885

“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.