SCHEMBL20032453

SCHEMBL20032453

CCC(CC)c1ccc(Cl)cc1-n1cnc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 4/20 0.42
MAPK1 P28482 2/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
CDK2 P24941 1/20 0.41
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
DNMT3A Q9Y6K1 1/20 0.40
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL16574154 0.78 FGFR1 (0.57) FGFR1SMN1; SMN2HTTMAPK1CYP11B1
SCHEMBL30558930 0.78 FGFR1 (0.48) FGFR1SMN1; SMN2HTTMAPK1CYP11B1
SCHEMBL29484667 0.73 FGFR1 (0.46) FGFR1SMN1; SMN2TSHRHTTMAPK1
SCHEMBL20032490 0.72 PDE10A (0.40) SMN1; SMN2CYP11B1CYP11B2NPC1LMNA
SCHEMBL8398489 0.68 HPGD (0.63) FGFR1HTTCYP11B1CYP11B2LMNA
SCHEMBL3417306 0.68 HTT (0.73) FGFR1HTTPOLBALDH1A1
SCHEMBL30026657 0.68 PKM (0.53) FGFR1SMN1; SMN2TSHRHTTNPC1
SCHEMBL23840275 0.68 FGFR1 (0.58) FGFR1HTTPOLBALDH1A1
SCHEMBL28824918 0.68 HTT (0.72) FGFR1SMN1; SMN2HTTMAPK1CYP11B1
SCHEMBL7211112 0.68 HTT (0.56) FGFR1HTTPOLBALDH1A1

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-10660893-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES, GmbH (CH) 2020-05-26 US disclosed
US-20190282575-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2019-09-19 US disclosed
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2018-04-05 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 (3 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-10660893-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A FGFR1 1173/4885SMN1; SMN2 3998/4885TSHR 1218/4885
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A FGFR1 1173/4885SMN1; SMN2 3998/4885TSHR 1218/4885
US-20190282575-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A FGFR1 1173/4885SMN1; SMN2 3998/4885TSHR 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.