SCHEMBL21838631

SCHEMBL21838631

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 4/20 0.39
▸ CCR2 P41597 2/20 0.38
▸ S1PR5 Q9H228 1/20 0.38
▸ HTR2C P28335 2/20 0.37
▸ KIF11 P52732 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ XDH P47989 1/20 0.35
▸ PIN1 Q13526 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ AKR1C3 P42330 2/20 0.35
▸ AKR1C2 P52895 2/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ KMO O15229 2/20 0.35
▸ CNR2 P34972 1/20 0.35

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
SCHEMBL21838621 1.00 KDM1A (0.39) KDM1ACCR2S1PR5HTR2CKIF11
SCHEMBL21838632 0.88 APP (0.36) KIF11AKR1C3AKR1C2
SCHEMBL21838611 0.84 RXFP1 (0.31) KDM1ASMN1; SMN2
SCHEMBL21838706 0.76 POLB (0.33) KIF11
SCHEMBL21838546 0.76 CCR2 (0.30) CCR2
SCHEMBL21838547 0.76 CCR2 (0.30) CCR2
SCHEMBL21838649 0.76 CCR2 (0.30) CCR2
SCHEMBL20063728 0.74 RXFP1 (0.40) KDM1AS1PR5HTR2CKIF11MAOB
SCHEMBL21838623 0.74 RXFP1 (0.40) KDM1AS1PR5HTR2CKIF11MAOB
SCHEMBL21838557 0.74 APP (0.36) KIF11AKR1C3AKR1C2

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 KDM1A 2698/4885CCR2 1157/4885S1PR5 27/4885

“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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