SCHEMBL20032391

SCHEMBL20032391

CCOc1cc(F)cc(C(CC)CC)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.38
FGFR2 P21802 1/20 0.38
NQO1 P15559 1/20 0.37
BRD4 O60885 3/20 0.36
CREBBP Q92793 3/20 0.36
PTGS2 P35354 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KAT6A Q92794 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.32
BRD2 P25440 1/20 0.32
FFAR1 O14842 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL19121291 0.84 FGFR1 (0.38) FGFR1FGFR2NQO1BRD4CREBBP
SCHEMBL8224218 0.83 FGFR1 (0.39) FGFR1FGFR2NQO1BRD4CREBBP
SCHEMBL18713680 0.83 ALDH1A1 (0.37) FFAR1
SCHEMBL18793763 0.82 FGFR1 (0.37) FGFR1FGFR2NQO1BRD4CREBBP
SCHEMBL12330432 0.81 BRD4 (0.41) FGFR1FGFR2NQO1BRD4CREBBP
SCHEMBL19122149 0.80 FGFR1 (0.38) FGFR1FGFR2NQO1BRD4CREBBP
SCHEMBL28408462 0.80 BRD4 (0.38) FGFR1FGFR2NQO1BRD4CREBBP
SCHEMBL16957681 0.80 BRD4 (0.38) FGFR1FGFR2NQO1BRD4CREBBP
SCHEMBL20032104 0.80 NPSR1 (0.35) KAT6A
SCHEMBL5671801 0.80 NQO1 (0.50) FGFR1FGFR2NQO1PTGS2MEN1

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 4 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-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES GMBH (CH) 2019-07-16 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 (4 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 1173/4885FGFR2 2940/4885NQO1 710/4885
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A FGFR1 1173/4885FGFR2 2940/4885NQO1 710/4885
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A FGFR1 1173/4885FGFR2 2940/4885NQO1 710/4885
US-20190282575-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A FGFR1 1173/4885FGFR2 2940/4885NQO1 710/4885

“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.