SCHEMBL16645264

SCHEMBL16645264

OC(c1cccnc1)(c1ccc2nc(CF)c(-c3ccccc3)c(Cl)c2c1)C1CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RORC P51449 19/20 0.52
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
CYP2D6 P10635 1/20 0.40
HRH1 P35367 1/20 0.40
SCN1A P35498 1/20 0.40
KMT2A Q03164 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40

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
SCHEMBL15647777 0.89 RORC (0.66) RORCMEN1LMNACYP2D6HRH1
SCHEMBL16632040 0.87 RORC (0.52) RORCMEN1LMNACYP2D6HRH1
SCHEMBL16645263 0.82 RORC (0.47) RORC
SCHEMBL16459612 0.79 RORC (0.62) RORC
SCHEMBL16641747 0.77 RORC (0.65) RORC
SCHEMBL22726340 0.75 RORC (0.39) RORCMEN1LMNACYP2D6HRH1
SCHEMBL16460188 0.75 RORC (0.62) RORC
SCHEMBL16632156 0.74 RORC (0.49) RORC
SCHEMBL16460411 0.74 RORC (0.62) RORC
SCHEMBL16641742 0.73 RORC (0.57) RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9403816-B2 Phenyl linked quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2016-08-02 US disclosed
US-20150105404-A1 PHENYL LINKED QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2015-04-16 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-20150105404-A1 PHENYL LINKED QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB RORC 1/4885MEN1 4667/4885LMNA 3628/4885

“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.