SCHEMBL17518892

SCHEMBL17518892

CN1CCC(c2ccc(N(C)C)cc2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.51
LSS P48449 4/20 0.47
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KCNH2 Q12809 1/20 0.43
PDGFRB P09619 1/20 0.42
QDPR P09417 1/20 0.41
HTR1A P08908 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR1E P28566 1/20 0.41
HTR7 P34969 1/20 0.41
HTR2B P41595 1/20 0.41
HTR3A P46098 1/20 0.41
HTR5A P47898 1/20 0.41
ALDH1A1 P00352 2/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL14257946 0.89 SLC18A3 (0.58) SLC18A3LSSPDGFRBQDPRALDH1A1
SCHEMBL14544198 0.79 RAB9A (0.50) SLC18A3LSSSLC6A2SLC6A4SLC6A3
SCHEMBL19558138 0.78 SLC18A3 (0.48) SLC18A3KCNH2PDGFRBALDH1A1ALOX15
SCHEMBL17516295 0.78 SLC18A3 (0.48) SLC18A3LSSPDGFRBHTR1AALDH1A1
SCHEMBL23134213 0.78 LSS (0.60) LSSSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL21815500 0.78 BRD4 (0.50) LSSSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL999428 0.78 BRD4 (0.50) LSSSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL2606075 0.78 NPC1 (0.47) LSSSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL8082343 0.78 LSS (0.60) LSSSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL13416053 0.78 NPC1 (0.47) LSSSLC6A2SLC6A4SLC6A3KCNH2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9809545-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2017-11-07 US disclosed
EP-2585470-B1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY HANMI SCIENCE CO LTD (KR) 2017-01-25 EP disclosed
US-20160046581-A1 Factor XIa Inhibitors MERCK SHARP & DOHME CORP. (US) 2016-02-18 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 (1 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-20160046581-A1 Factor XIa Inhibitors F11, F12, TFPI SLC18A3 4869/4885LSS 2025/4885SLC6A2 4843/4885

“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.