SCHEMBL18713699

SCHEMBL18713699

CCC(CC)c1cc(Cl)cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 2/20 0.41
SLC13A3 Q8WWT9 1/20 0.37
PDE2A O00408 1/20 0.37
AKR1B10 O60218 1/20 0.34
AKR1C4 P17516 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 1/20 0.34
DDR1 Q08345 3/20 0.33
ITGAV P06756 1/20 0.33
ITGB6 P18564 1/20 0.33
ITGB8 P26012 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
AHR P35869 1/20 0.33
KLRK1 P26718 1/20 0.33
MICA Q29983 1/20 0.33
RAET1L Q5VY80 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 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
SCHEMBL19480526 0.86 TACR1 (0.39) PDE2AAKR1C3AKR1C2
SCHEMBL16770635 0.84 RAPGEF4 (0.37) RAPGEF4SLC13A3PDE2AAKR1B10AKR1C4
SCHEMBL23627166 0.84 RAPGEF4 (0.37) RAPGEF4SLC13A3PDE2AAKR1B10AKR1C4
SCHEMBL12646232 0.80 TSHR (0.42) RAPGEF4AKR1B10AKR1C4AKR1C3AKR1C2
SCHEMBL18713912 0.79 PDE2A (0.38) PDE2AAKR1C3AKR1C2
SCHEMBL9967739 0.79 RAPGEF4 (0.41) RAPGEF4SLC13A3PDE2ATDP1L3MBTL1
SCHEMBL27724849 0.78 SOS1 (0.39) PDE2A
SCHEMBL10913469 0.76 RAPGEF4 (0.39) RAPGEF4SLC13A3PDE2ATDP1L3MBTL1
SCHEMBL17069226 0.76 RAPGEF4 (0.39) RAPGEF4SLC13A3PDE2ATDP1L3MBTL1
SCHEMBL21164525 0.76 KMT2A (0.36) PDE2AAKR1C3AKR1C2

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-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-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
US-9750740-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors Kanos Pharmaceuticals, Inc. (US) 2017-09-05 US disclosed
US-20170095476-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2017-04-06 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 (9 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 RAPGEF4 2209/4885SLC13A3 2912/4885PDE2A 3073/4885
US-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A RAPGEF4 2209/4885SLC13A3 2912/4885PDE2A 3073/4885
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A RAPGEF4 2209/4885SLC13A3 2912/4885PDE2A 3073/4885
US-20170095476-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A RAPGEF4 2209/4885SLC13A3 2912/4885PDE2A 3073/4885
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A RAPGEF4 2209/4885SLC13A3 2912/4885PDE2A 3073/4885
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A RAPGEF4 2209/4885SLC13A3 2912/4885PDE2A 3073/4885
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A RAPGEF4 2209/4885SLC13A3 2912/4885PDE2A 3073/4885
US-20190282575-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A RAPGEF4 2209/4885SLC13A3 2912/4885PDE2A 3073/4885
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A RAPGEF4 2209/4885SLC13A3 2912/4885PDE2A 3073/4885

“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.