SCHEMBL21164288

SCHEMBL21164288

CCC(CC)c1cc(C#N)cc(OC)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GRM5 P41594 1/20 0.34
HPGDS O60760 1/20 0.33
KCNH2 Q12809 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
KDM1A O60341 1/20 0.33
PGR P06401 1/20 0.33
BRAF P15056 1/20 0.33
ESR1 P03372 1/20 0.33
AHR P35869 1/20 0.33

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
SCHEMBL18782394 0.85 ALDH1A1 (0.52) ALDH1A1ESR1AHR
SCHEMBL21135650 0.85 MGLL (0.40) MGLLALDH1A1GRM5HPGDSKCNH2
SCHEMBL15958517 0.80 ALDH1A1 (0.42) MGLLALDH1A1GRM5HPGDSKDM1A
SCHEMBL202404 0.79 ALDH1A1 (0.61) ALDH1A1GRM5HPGDSKDM1APGR
SCHEMBL6682154 0.79 ALDH1A1 (0.41) MGLLALDH1A1GRM5HPGDSKDM1A
SCHEMBL3628529 0.79 EPAS1 (0.41) MGLLALDH1A1GRM5HPGDSKDM1A
SCHEMBL158444 0.78 MGLL (0.36) MGLLALDH1A1GRM5HPGDSKCNH2
SCHEMBL16961695 0.77 ALDH1A1 (0.39) MGLLALDH1A1GRM5HPGDSKDM1A
SCHEMBL509576 0.77 ALDH1A1 (0.58) ALDH1A1GRM5HPGDSKDM1APGR
SCHEMBL21366670 0.76 ALDH1A1 (0.40) ALDH1A1

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-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-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES GMBH (CH) 2019-07-16 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-10660893-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A MGLL 2659/4885ALDH1A1 433/4885GRM5 1170/4885
US-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A MGLL 2659/4885ALDH1A1 433/4885GRM5 1170/4885
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A MGLL 2659/4885ALDH1A1 433/4885GRM5 1170/4885
US-20190282575-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A MGLL 2659/4885ALDH1A1 433/4885GRM5 1170/4885
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A MGLL 2659/4885ALDH1A1 433/4885GRM5 1170/4885

“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.