SCHEMBL21838611

SCHEMBL21838611

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

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.31
▸ PDE5A O76074 1/20 0.31
▸ KDM1A O60341 2/20 0.31
▸ USP30 Q70CQ3 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ CTSB P07858 1/20 0.30
▸ CTSS P25774 1/20 0.30
▸ CTSK P43235 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL21838618 0.86 RIPK1 (0.32) RXFP1PDE5AUSP30NPC1RAB9A
SCHEMBL21838631 0.84 KDM1A (0.39) KDM1ASMN1; SMN2
SCHEMBL21838621 0.84 KDM1A (0.39) KDM1ASMN1; SMN2
SCHEMBL21838568 0.82 — —
SCHEMBL21838632 0.78 APP (0.36) —
SCHEMBL21838706 0.76 POLB (0.33) —
SCHEMBL21838612 0.73 CTSB (0.37) KDM1AUSP30KMT2ACTSBCTSS
SCHEMBL21838539 0.73 CNR2 (0.40) USP30
SCHEMBL21838649 0.70 CCR2 (0.30) —
SCHEMBL21838546 0.70 CCR2 (0.30) —

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 RXFP1 45/4885PDE5A 178/4885KDM1A 2698/4885

“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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