SCHEMBL9286802

SCHEMBL9286802

CCCC[C@@H](C)c1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
CYP3A4 P08684 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
BDKRB2 P30411 1/20 0.35
POLB P06746 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MC4R P32245 3/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
GCGR P47871 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
SCHEMBL9229150 1.00 TSHR (0.38) TSHRCYP3A4L3MBTL1IDO1TDO2
SCHEMBL24920008 0.93 CSNK1E (0.41) TSHRCYP3A4MEN1ALDH1A1KMT2A
SCHEMBL780254 0.88 TSHR (0.41) TSHRCYP3A4L3MBTL1IDO1TDO2
SCHEMBL6685019 0.86 TSHR (0.45) TSHRCYP3A4MEN1ALDH1A1KMT2A
SCHEMBL19496643 0.85 CES2 (0.37) TSHRL3MBTL1MEN1KMT2APOLB
SCHEMBL20710583 0.85 HRH1 (0.44) TSHRCYP3A4L3MBTL1IDO1TDO2
SCHEMBL9231510 0.84 ALDH1A1 (0.33) TSHRL3MBTL1MEN1ALDH1A1KMT2A
SCHEMBL9281513 0.84 ALDH1A1 (0.33) TSHRL3MBTL1MEN1ALDH1A1KMT2A
SCHEMBL6683563 0.83 CYP3A4 (0.36) TSHRCYP3A4L3MBTL1IDO1TDO2
SCHEMBL19215837 0.83 CYP3A4 (0.36) TSHRCYP3A4L3MBTL1IDO1TDO2

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-8946266-B2 Substituted triazole and imidazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-02-03 US disclosed
US-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-05-31 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-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A TSHR 3620/4885CYP3A4 51/4885L3MBTL1 4234/4885

“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.