SCHEMBL21838613

SCHEMBL21838613

CC(C)(C)N(C(=O)O)[C@H]1CCN(c2cccc(C(F)(F)F)c2)C[C@@H]1N

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 4/20 0.60
▸ POLB P06746 2/20 0.45
▸ DPP4 P27487 1/20 0.44
▸ DPP8 Q6V1X1 1/20 0.44
▸ DPP9 Q86TI2 1/20 0.44
▸ DPP7 Q9UHL4 1/20 0.44
▸ ACACB O00763 2/20 0.44
▸ SLC6A9 P48067 1/20 0.43
▸ SERPINE1 P05121 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TRPV1 Q8NER1 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
SCHEMBL21838591 0.88 NOTUM (0.57) NOTUMPOLBACACBSLC6A9LMNA
SCHEMBL22499991 0.86 NOTUM (0.63) NOTUMPOLBACACBSLC6A9LMNA
SCHEMBL22499989 0.86 NOTUM (0.63) NOTUMPOLBACACBSLC6A9LMNA
SCHEMBL21838630 0.83 NOTUM (0.53) NOTUMPOLBACACBSLC6A9SERPINE1
SCHEMBL1337159 0.79 CACNA1B (0.51) NOTUMPOLBACACBSLC6A9LMNA
SCHEMBL25170450 0.76 NOTUM (1.00) NOTUMPOLBSERPINE1
SCHEMBL29957216 0.76 NOTUM (1.00) NOTUMPOLBSERPINE1
SCHEMBL20063904 0.75 NOTUM (0.57) NOTUMPOLBDPP4ACACBALDH1A1
SCHEMBL21838600 0.74 HTR2C (0.41) —
SCHEMBL21838543 0.74 HTR2C (0.41) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2020-04-16 — — 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-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 NOTUM 3035/4885POLB 4679/4885DPP4 1298/4885

“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.

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