SCHEMBL18713619

SCHEMBL18713619

CCC(CC)c1ccc2c(C)n(C)nc2c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 9/20 0.34
▸ KIT P10721 7/20 0.34
▸ PDGFRA P16234 7/20 0.34
▸ CHRM4 P08173 3/20 0.33
▸ BTK Q06187 1/20 0.32
▸ FLT1 P17948 2/20 0.31
▸ FLT4 P35916 2/20 0.31
▸ HDAC1 Q13547 2/20 0.31
▸ HDAC6 Q9UBN7 2/20 0.31
▸ ADRA2A P08913 1/20 0.30
▸ ADRA2B P18089 1/20 0.30
▸ ADRA2C P18825 1/20 0.30

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
SCHEMBL18713638 0.88 TPH1 (0.34) KDRKITPDGFRACHRM4BTK
SCHEMBL22357763 0.81 LMNA (0.37) KDRKITPDGFRACHRM4BTK
SCHEMBL20032325 0.74 ADORA2A (0.50) ADRA2AADRA2BADRA2C
SCHEMBL12163 0.73 KIT (0.41) KDRKITPDGFRACHRM4BTK
SCHEMBL18713682 0.71 ADORA2A (0.50) CHRM4
SCHEMBL26515852 0.70 PRNP (0.43) KDRKITPDGFRACHRM4BTK
SCHEMBL588669 0.70 ALDH1A1 (0.46) KDRKITPDGFRACHRM4BTK
SCHEMBL13106176 0.70 KIT (0.44) KDRKITPDGFRACHRM4BTK
SCHEMBL13106271 0.70 POLB (0.46) KDRKITPDGFRACHRM4
SCHEMBL2144329 0.70 PDGFRA (0.44) KDRKITPDGFRABTKHDAC1

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-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 (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-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A KDR 1536/4885KIT 2213/4885PDGFRA 291/4885
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A KDR 1536/4885KIT 2213/4885PDGFRA 291/4885
US-20170095476-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A KDR 1536/4885KIT 2213/4885PDGFRA 291/4885
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A KDR 1536/4885KIT 2213/4885PDGFRA 291/4885
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A KDR 1536/4885KIT 2213/4885PDGFRA 291/4885
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A KDR 1536/4885KIT 2213/4885PDGFRA 291/4885

“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.

Send feedback