SCHEMBL18745708

SCHEMBL18745708

CC(C)(C)N1CC(P)(P)C1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL9924089 0.71 CRHBP (0.41) CRHBPCRHR2ALDH1A1
SCHEMBL13923529 0.71 CRHBP (0.41) CRHBPCRHR2ALDH1A1
SCHEMBL24425747 0.71 CRHBP (0.38) CRHBPCRHR2
SCHEMBL25677732 0.71 GRIN2D (0.43)
SCHEMBL680047 0.69 CRHBP (0.39) CRHBPCRHR2ALDH1A1
SCHEMBL25790737 0.69 CRHBP (0.39) CRHBPCRHR2ALDH1A1
SCHEMBL20194007 0.69 CRHBP (0.39) CRHBPCRHR2ALDH1A1
SCHEMBL18363105 0.69 CRHBP (0.39) CRHBPCRHR2ALDH1A1
SCHEMBL22260668 0.69 CRHBP (0.39) CRHBPCRHR2ALDH1A1
SCHEMBL10205004 0.67 CRHBP (0.38) CRHBPCRHR2ALDH1A1

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-10201546-B2 Quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2019-02-12 US disclosed
US-20170182056-A1 QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2017-06-29 US disclosed
US-9624225-B2 Quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2017-04-18 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 (2 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-10201546-B2 Quinolinyl modulators of RORγt RORC, RORB, RORA CRHBP 2347/4885CRHR2 395/4885ALDH1A1 1190/4885
US-20170182056-A1 QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB CRHBP 2080/4885CRHR2 651/4885ALDH1A1 1295/4885

“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.