SCHEMBL20032275

SCHEMBL20032275

CCC(CC)c1ccc(C(F)(F)F)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 4/20 0.41
AKR1C2 P52895 4/20 0.41
AKR1B10 O60218 1/20 0.39
AKR1C4 P17516 1/20 0.39
AKR1C1 Q04828 1/20 0.39
DAO P14920 1/20 0.38
PDE2A O00408 3/20 0.38
FAAH O00519 5/20 0.37
KMO O15229 1/20 0.35
NOTUM Q6P988 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
TRPV3 Q8NET8 1/20 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
SCHEMBL21125000 0.90 AKR1C3 (0.38) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL20032312 0.86 AKR1C3 (0.47) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL23627171 0.84 USP2 (0.41) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL15157681 0.83 SLC6A4 (0.40) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
Hydrochloric Acid SCHEMBL28117600 0.81 AKR1C3 (0.39) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
Hydrochloric Acid SCHEMBL15157818 0.81 AKR1C3 (0.39) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL9967733 0.79 PDE2A (0.43) AKR1C3AKR1C2DAOPDE2AFAAH
SCHEMBL21124509 0.78 PDE2A (0.39) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL21125230 0.77 AKR1C3 (0.43) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL2632704 0.77 AHR (0.44) SLC6A2SLC6A4SLC6A3

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 7 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-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 (7 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 AKR1C3 157/4885AKR1C2 103/4885AKR1B10 280/4885
US-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A AKR1C3 157/4885AKR1C2 103/4885AKR1B10 280/4885
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A AKR1C3 157/4885AKR1C2 103/4885AKR1B10 280/4885
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A AKR1C3 157/4885AKR1C2 103/4885AKR1B10 280/4885
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A AKR1C3 157/4885AKR1C2 103/4885AKR1B10 280/4885
US-20190282575-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A AKR1C3 157/4885AKR1C2 103/4885AKR1B10 280/4885
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A AKR1C3 157/4885AKR1C2 103/4885AKR1B10 280/4885

“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.