SCHEMBL20032312

SCHEMBL20032312

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 5/20 0.47
AKR1C2 P52895 5/20 0.47
IDO1 P14902 2/20 0.44
KDR P35968 1/20 0.44
LMNA P02545 1/20 0.43
AKR1B10 O60218 1/20 0.42
AKR1C4 P17516 1/20 0.42
AKR1C1 Q04828 1/20 0.42
PRKCZ Q05513 1/20 0.41
S1PR1 P21453 2/20 0.40
PYCR1 P32322 1/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
RAPGEF4 Q8WZA2 1/20 0.40
PDK1 Q15118 1/20 0.40
NPFFR2 Q9Y5X5 1/20 0.39
NOTUM Q6P988 2/20 0.38

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
SCHEMBL21125230 0.90 AKR1C3 (0.43) AKR1C3AKR1C2IDO1KDRLMNA
SCHEMBL19820209 0.86 AKR1C3 (0.42) AKR1C3AKR1C2IDO1KDRLMNA
SCHEMBL20032275 0.86 AKR1C3 (0.41) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL21124958 0.84 AKR1C3 (0.46) AKR1C3AKR1C2IDO1KDRLMNA
SCHEMBL15157366 0.83 IDO1 (0.45) AKR1C3AKR1C2IDO1KDRLMNA
SCHEMBL8443135 0.83 AKR1C3 (0.48) AKR1C3AKR1C2IDO1KDRLMNA
SCHEMBL20032088 0.80 AKR1C3 (0.40) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL2662302 0.79 AKR1C3 (0.47) AKR1C3AKR1C2IDO1KDRLMNA
SCHEMBL21124971 0.78 AKR1C3 (0.41) AKR1C3AKR1C2IDO1LMNAS1PR1
SCHEMBL21125000 0.77 AKR1C3 (0.38) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1

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 10 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-11066370-B2 Kinase inhibitor compounds, compositions, and methods of treating cancer ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2021-07-20 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-20200325103-A1 KINASE INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF TREATING CANCER ICAHN SCHOOL MED MOUNT SINAI (US) 2020-10-15 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
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 (10 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-20200325103-A1 KINASE INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF TREATING CANCER MAP3K1, KSR1, MAP3K11 AKR1C3 587/4885AKR1C2 677/4885IDO1 2131/4885
US-10660893-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A AKR1C3 157/4885AKR1C2 103/4885IDO1 16/4885
US-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A AKR1C3 157/4885AKR1C2 103/4885IDO1 16/4885
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A AKR1C3 157/4885AKR1C2 103/4885IDO1 16/4885
US-11066370-B2 Kinase inhibitor compounds, compositions, and methods of treating cancer MAP3K1, KSR1, MAP3K11 AKR1C3 587/4885AKR1C2 677/4885IDO1 2131/4885
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A AKR1C3 157/4885AKR1C2 103/4885IDO1 16/4885
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A AKR1C3 157/4885AKR1C2 103/4885IDO1 16/4885
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A AKR1C3 157/4885AKR1C2 103/4885IDO1 16/4885
US-20190282575-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A AKR1C3 157/4885AKR1C2 103/4885IDO1 16/4885
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A AKR1C3 157/4885AKR1C2 103/4885IDO1 16/4885

“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.