SCHEMBL11522388

SCHEMBL11522388

NC1CCc2ccc(C(F)(F)F)cc21

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.53
HTR2C P28335 4/20 0.50
HTR2B P41595 4/20 0.50
HTR2A P28223 3/20 0.50
KDM1A O60341 1/20 0.47
CYP11B1 P15538 2/20 0.47
CYP11B2 P19099 2/20 0.47
SLC6A4 P31645 2/20 0.44
CTSD P07339 1/20 0.43
ACHE P22303 1/20 0.41
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41

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
SCHEMBL15335796 1.00 PNMT (0.53) PNMTHTR2CHTR2BHTR2AKDM1A
SCHEMBL14829111 1.00 PNMT (0.53) PNMTHTR2CHTR2BHTR2AKDM1A
Hydrochloric Acid SCHEMBL16536522 0.98 PNMT (0.51) PNMTHTR2CHTR2BHTR2AKDM1A
Hydrochloric Acid SCHEMBL15937740 0.98 PNMT (0.51) PNMTHTR2CHTR2BHTR2AKDM1A
Hydrochloric Acid SCHEMBL11521708 0.98 PNMT (0.51) PNMTHTR2CHTR2BHTR2AKDM1A
Methylamine SCHEMBL28776714 0.97 HTR2C (0.51) PNMTHTR2CHTR2BHTR2AKDM1A
SCHEMBL15336335 0.90 CYP11B1 (0.51) PNMTHTR2CHTR2BHTR2AKDM1A
SCHEMBL15336336 0.90 CYP11B1 (0.51) PNMTHTR2CHTR2BHTR2AKDM1A
SCHEMBL24452647 0.86 PNMT (0.53) PNMTHTR2CHTR2BHTR2AKDM1A
SCHEMBL1863996 0.86 PNMT (0.53) PNMTHTR2CHTR2BHTR2AKDM1A

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-4132737-A ENZYME INHIBITORS ELI LILLY AND COMPANY (US) 1979-01-02 US claimed
US-20200131144-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS PHENEX-FXR GMBH (DE) 2020-04-30 US disclosed
US-4132737-A ENZYME INHIBITORS ELI LILLY AND COMPANY (US) 1979-01-02 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-20200131144-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS NR1H2, NR1H3, NR1H4 PNMT 2191/4885HTR2C 2235/4885HTR2B 1799/4885

“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.