SCHEMBL16698284

SCHEMBL16698284

O[C@H]1CCc2ccc(F)cc21

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.46
HTR2A P28223 1/20 0.46
PIN1 Q13526 2/20 0.41
CHRM4 P08173 3/20 0.40
HTR7 P34969 3/20 0.40
IDO1 P14902 1/20 0.39
DRD2 P14416 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
SLC6A4 P31645 1/20 0.38
NR3C2 P08235 1/20 0.38
KDM4A O75164 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
HTR2B P41595 1/20 0.36
KDM1A O60341 3/20 0.36
KDM1B Q8NB78 1/20 0.36
PDE1B Q01064 1/20 0.36

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
SCHEMBL1154662 1.00 HTR2C (0.46) HTR2CHTR2APIN1CHRM4HTR7
SCHEMBL22143619 0.89 HTR2A (0.44) HTR2CHTR2APIN1KDM4AKDM4C
SCHEMBL1265569 0.89 HTR2A (0.44) HTR2CHTR2APIN1KDM4AKDM4C
SCHEMBL6025431 0.89 HTR2A (0.44) HTR2CHTR2APIN1KDM4AKDM4C
SCHEMBL16363092 0.84 SRD5A1 (0.45) HTR2CHTR2APIN1IDO1DRD2
SCHEMBL1745527 0.84 SRD5A1 (0.45) HTR2CHTR2APIN1IDO1DRD2
SCHEMBL16363081 0.84 SRD5A1 (0.45) HTR2CHTR2APIN1IDO1DRD2
SCHEMBL16821224 0.81 ESR2 (0.46) HTR2CCHRM4HTR7DRD2
SCHEMBL8348394 0.78 ESR1 (0.54) DRD2SLC6A4
SCHEMBL28033988 0.78 ESR1 (0.54) DRD2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2861231-B1 INHIBITOR OF JAK1 AND JAK2 LILLY CO ELI (US) 2016-08-31 EP disclosed
EP-2861231-B1 INHIBITOR OF JAK1 AND JAK2 LILLY CO ELI (US) 2016-08-31 EP disclosed
US-9062050-B2 Inhibitor of JAK1 and JAK2 ELI LILLY AND COMPANY (US) 2015-06-23 US disclosed
US-9062050-B2 Inhibitor of JAK1 and JAK2 ELI LILLY AND COMPANY (US) 2015-06-23 US disclosed
US-9062050-B2 Inhibitor of JAK1 and JAK2 ELI LILLY AND COMPANY (US) 2015-06-23 US disclosed
US-20150133490-A1 INHIBITOR OF JAK1 AND JAK2 ELI LILLY AND COMPANY 2015-05-14 US disclosed
US-20150133490-A1 INHIBITOR OF JAK1 AND JAK2 ELI LILLY AND COMPANY 2015-05-14 US disclosed
US-20150133490-A1 INHIBITOR OF JAK1 AND JAK2 ELI LILLY AND COMPANY 2015-05-14 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-20150133490-A1 INHIBITOR OF JAK1 AND JAK2 JAK1, JAK2, JAK3 HTR2C 1721/4885HTR2A 3217/4885PIN1 1392/4885

“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.