SCHEMBL20032417

SCHEMBL20032417

CCC(CC)c1cc(F)ccc1OC

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
NFE2L2 Q16236 2/20 0.40
HTR2A P28223 3/20 0.39
HTR2C P28335 3/20 0.39
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA1A P35348 1/20 0.38
HTR2B P41595 2/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
CTSA P10619 1/20 0.37
PTGS1 P23219 1/20 0.37
BCHE P06276 1/20 0.36
TYR P14679 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL18713690 0.85 KDM4E (0.44) KDM4ENFE2L2USP2SMN1; SMN2BCHE
SCHEMBL2691040 0.85 CTSA (0.48) CTSA
SCHEMBL18713943 0.84 KDM4E (0.43) KDM4ENFE2L2HTR2AHTR2CUSP2
SCHEMBL2689604 0.82 FFAR1 (0.47) CTSA
SCHEMBL23322870 0.82 ADRA1A (0.50) KDM4EHTR2AHTR2CADRA2AADRA1A
SCHEMBL19050633 0.82 KDM4E (0.42) KDM4ENFE2L2HTR2AHTR2CUSP2
SCHEMBL19292776 0.80 KDM4E (0.41) KDM4ENFE2L2HTR2AHTR2CPTGS1
SCHEMBL18964398 0.80 KDM4E (0.40) KDM4ENFE2L2HTR2AHTR2CUSP2
SCHEMBL20869209 0.80 CYP2D6 (0.41) KDM4ENFE2L2HTR2AHTR2CUSP2
SCHEMBL12482101 0.79 ADRA1A (0.59) HTR2AADRA2AADRA1ABCHETYR

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-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-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 (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 KDM4E 2437/4885NFE2L2 1964/4885HTR2A 14/4885
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A KDM4E 2437/4885NFE2L2 1964/4885HTR2A 14/4885
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A KDM4E 2437/4885NFE2L2 1964/4885HTR2A 14/4885
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A KDM4E 2437/4885NFE2L2 1964/4885HTR2A 14/4885
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A KDM4E 2437/4885NFE2L2 1964/4885HTR2A 14/4885

“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.