SCHEMBL18713982

SCHEMBL18713982

CCOc1cc(-c2cc(Cl)ccc2C(C)CC)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.42
▸ ALDH1A1 P00352 3/20 0.36
▸ TSHR P16473 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ HPGD P15428 3/20 0.36
▸ POLB P06746 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ AGPAT2 O15120 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CTSA P10619 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 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
SCHEMBL20032164 0.88 HTT (0.43) HTTALDH1A1TSHRMEN1KMT2A
SCHEMBL18713787 0.83 PTGS2 (0.40) HTTTSHRKDM4ELMNA
SCHEMBL21507819 0.82 PTGS2 (0.38) TRPV1CTSAKCNH2
SCHEMBL21164541 0.81 HTT (0.40) HTTALDH1A1TSHRMEN1KMT2A
SCHEMBL16574116 0.81 MAP4K4 (0.43) HTTALDH1A1TSHRMEN1KMT2A
SCHEMBL18713738 0.79 PTGS2 (0.41) HTTTSHRGAAHPGDAGPAT2
SCHEMBL21725501 0.77 TSHR (0.44) HTTALDH1A1TSHRMEN1KMT2A
SCHEMBL18713960 0.76 CHRM1 (0.38) HTTTSHRMEN1KMT2ACYP1A2
SCHEMBL21508081 0.74 KCNH2 (0.44) TSHRKMT2AL3MBTL1TRPV1HPGD
SCHEMBL18713571 0.74 CYP2A6 (0.44) TSHRCYP1A2

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-9750740-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors Kanos Pharmaceuticals, Inc. (US) 2017-09-05 — — US disclosed
US-20170095476-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2017-04-06 — — 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-20170095476-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A HTT 322/4885ALDH1A1 433/4885TSHR 1218/4885

“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.

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