SCHEMBL20032090

SCHEMBL20032090

CCC(CC)c1cccc(C(=O)OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.53
CYP4F2 P78329 2/20 0.51
CYP4A11 Q02928 2/20 0.51
SLC7A5 Q01650 1/20 0.49
TSHR P16473 1/20 0.48
F2 P00734 1/20 0.48
F10 P00742 1/20 0.48
PRSS1 P07477 1/20 0.48
CASR P41180 1/20 0.48
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
POLB P06746 1/20 0.46

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
SCHEMBL25954804 0.87 LOXL2 (0.44) LOXL2CYP4F2CYP4A11SLC7A5TSHR
SCHEMBL20032256 0.85 CYP4F2 (0.52) CYP4F2CYP4A11TSHRRAB9ANPC1
SCHEMBL10606809 0.85 LOXL2 (0.51) LOXL2CYP4F2CYP4A11SLC7A5TSHR
SCHEMBL28346938 0.85 HDAC4 (0.51) LOXL2CYP4F2CYP4A11SLC7A5TSHR
SCHEMBL1787505 0.85 HDAC4 (0.51) LOXL2CYP4F2CYP4A11SLC7A5TSHR
SCHEMBL5662355 0.85 LOXL2 (0.51) LOXL2CYP4F2CYP4A11SLC7A5TSHR
SCHEMBL6637800 0.84 LOXL2 (0.50) LOXL2CYP4F2CYP4A11SLC7A5TSHR
SCHEMBL14231684 0.84 LOXL2 (0.54) LOXL2CYP4F2CYP4A11SLC7A5TSHR
SCHEMBL11460790 0.84 TSHR (0.50) LOXL2CYP4F2CYP4A11SLC7A5TSHR
SCHEMBL10277654 0.84 LOXL2 (0.54) LOXL2CYP4F2CYP4A11SLC7A5TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ALTAVANT SCIENCES GMBH 2023-09-19 US disclosed
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2021-07-08 US disclosed
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES GMBH (CH) 2021-03-16 US disclosed
US-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ROIVANT SCIENCES GMBH (CH) 2020-07-30 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 (5 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-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A LOXL2 1549/4885CYP4F2 857/4885CYP4A11 268/4885
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A LOXL2 1549/4885CYP4F2 857/4885CYP4A11 268/4885
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A LOXL2 1549/4885CYP4F2 857/4885CYP4A11 268/4885
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A LOXL2 1549/4885CYP4F2 857/4885CYP4A11 268/4885
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A LOXL2 1549/4885CYP4F2 857/4885CYP4A11 268/4885

“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.