SCHEMBL20032450

SCHEMBL20032450

CCC(CC)c1cccc(OC)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
ADRA2B P18089 1/20 0.41
PTGS1 P23219 1/20 0.41
BCHE P06276 1/20 0.40
TYR P14679 1/20 0.40
ACHE P22303 1/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 2/20 0.35

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
SCHEMBL20099188 0.87 DHFR (0.39) L3MBTL1POLBHTTNPSR1TDP1
SCHEMBL2503555 0.85 POLB (0.51) L3MBTL1POLBHTTNPSR1CA12
SCHEMBL12193341 0.85 POLB (0.51) L3MBTL1POLBHTTNPSR1CA12
SCHEMBL12193336 0.85 POLB (0.51) L3MBTL1POLBHTTNPSR1CA12
SCHEMBL13814392 0.84 TSHR (0.44) L3MBTL1POLBHTTNPSR1BCHE
SCHEMBL12157085 0.82 HTT (0.53) L3MBTL1POLBHTTNPSR1ALDH1A1
SCHEMBL22791876 0.81 MPL (0.38) NOS3NOS1NOS2CYP2D6
SCHEMBL22827469 0.79 KRAS (0.44) L3MBTL1POLBHTTNPSR1ALDH1A1
SCHEMBL84457 0.79 LPAR1 (0.44) L3MBTL1POLBHTTNPSR1ALDH1A1
SCHEMBL20032417 0.78 KDM4E (0.44) PTGS1BCHETYRACHESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (6 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 L3MBTL1 1960/4885POLB 4133/4885HTT 322/4885
US-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A L3MBTL1 1960/4885POLB 4133/4885HTT 322/4885
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A L3MBTL1 1960/4885POLB 4133/4885HTT 322/4885
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A L3MBTL1 1960/4885POLB 4133/4885HTT 322/4885
US-20190282575-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A L3MBTL1 1960/4885POLB 4133/4885HTT 322/4885
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A L3MBTL1 1960/4885POLB 4133/4885HTT 322/4885

“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.