SCHEMBL18713656

SCHEMBL18713656

CCC(CC)c1ccc(Cl)cc1-c1ccc(Cl)s1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ AKT3 Q9Y243 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ RORC P51449 1/20 0.31
▸ CRHR1 P34998 1/20 0.31
▸ HSD17B1 P14061 2/20 0.30
▸ HSD17B2 P37059 1/20 0.30
▸ PDE4B Q07343 1/20 0.30
▸ PDE4D Q08499 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ PGR P06401 1/20 0.30

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
SCHEMBL18713504 0.79 ALDH1A1 (0.38) KCNH2ALDH1A1HPGDLMNATP53
SCHEMBL18713632 0.79 PIK3CD (0.35) KCNH2ALDH1A1AKT3HTTNPSR1
SCHEMBL20032503 0.75 GCG (0.39) KCNH2LMNATP53HTTNPSR1
SCHEMBL18713620 0.73 KCNH2 (0.38) KCNH2LMNATP53HTTCRHR1
SCHEMBL16574178 0.73 IDO1 (0.41) ALDH1A1HPGDL3MBTL1HSD17B1HSD17B2
SCHEMBL16555306 0.73 HSD17B1 (0.35) ALDH1A1HPGDHSD17B1HSD17B2
SCHEMBL18713538 0.72 PTGDR2 (0.42) KCNH2ALDH1A1PDE4DKDM4E
SCHEMBL18713983 0.71 KCNH2 (0.36) KCNH2ALDH1A1HPGDLMNATP53
SCHEMBL21164536 0.71 DHFR (0.39) KCNH2ALDH1A1
SCHEMBL20032454 0.71 PSEN1 (0.39) KCNH2ALDH1A1HPGDLMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2018-04-05 — — US disclosed
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 (2 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-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A KCNH2 3159/4885ALDH1A1 433/4885HPGD 140/4885
US-20170095476-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A KCNH2 3159/4885ALDH1A1 433/4885HPGD 140/4885

“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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