SCHEMBL22220712

SCHEMBL22220712

Cc1cc(-c2ccc3[nH]ccc3c2)ccc1C(=O)N(C)C[C@@H]1CCN(C(=O)C2CC2)C1

nearest known ligand 0.82

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FASN P49327 9/20 0.82
MELK Q14680 1/20 0.49
ACACB O00763 5/20 0.41
ACACA Q13085 5/20 0.41
ABL1 P00519 1/20 0.39
PIK3CD O00329 1/20 0.39
GHSR Q92847 1/20 0.39
CHRNA7 P36544 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
SCHEMBL22220719 0.90 FASN (1.00) FASNMELKACACBACACA
SCHEMBL22220832 0.90 FASN (0.78) FASNMELKACACBACACAABL1
SCHEMBL22220845 0.84 FASN (0.89) FASNMELKGHSR
SCHEMBL22220831 0.84 FASN (0.68) FASNMELKACACBACACAGHSR
SCHEMBL22220786 0.83 FASN (0.58) FASNMELK
SCHEMBL22220863 0.83 FASN (0.65) FASNMELKACACBACACAABL1
SCHEMBL22220818 0.82 FASN (0.57) FASN
SCHEMBL22220858 0.82 FASN (0.56) FASN
SCHEMBL14731385 0.81 FASN (0.56) FASN
SCHEMBL14731369 0.81 FASN (0.64) FASNMELKACACBACACAABL1

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
WO-2020150423-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS YUMANITY THERAPEUTICS, INC. (US) 2020-07-23 WO disclosed
US-20200222400-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2020-07-16 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-20200222400-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NLN, CLN6, OTC FASN 2790/4885MELK 3492/4885ACACB 502/4885

“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.