SCHEMBL4412221

SCHEMBL4412221

CCCc1nnn(CC(C)C)n1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.50
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50
PKM P14618 1/20 0.33
ATM Q13315 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RECQL P46063 1/20 0.32
TOP2A P11388 1/20 0.32

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
SCHEMBL4403741 0.89 TRPV1 (0.48) TRPV1CNR1CNR2PKMATM
SCHEMBL4405445 0.87 TRPV1 (0.47) TRPV1CNR1CNR2RECQL
SCHEMBL4405385 0.86 TRPV1 (0.46) TRPV1CNR1CNR2
SCHEMBL20711268 0.85 TRPV1 (0.50) TRPV1CNR1CNR2TOP2A
SCHEMBL4409005 0.84 TRPV1 (0.53) TRPV1CNR1CNR2PKMATM
SCHEMBL4408960 0.80 TRPV1 (0.53) TRPV1CNR1CNR2PKMATM
SCHEMBL4409234 0.79 SMN1; SMN2 (0.40) PKMATMHSD17B10
SCHEMBL4413961 0.78 RECQL (0.41) PKMATMHSD17B10RECQL
SCHEMBL19302724 0.76 TRPV1 (0.49) TRPV1CNR1CNR2PKMATM
SCHEMBL4400322 0.76 TRPV1 (0.49) TRPV1CNR1CNR2TOP2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10874686-B2 Anthranilyl-adenosinemonosulfamate analogs and uses thereof MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2020-12-29 US disclosed
US-20190038656-A1 ANTHRANILYL-ADENOSINEMONOSULFAMATE ANALOGS AND USES THEREOF Memorial Slooan-Kettering Cancer Center (US) 2019-02-07 US disclosed
EP-1859782-B1 Composition for coloring and/or lightening human hair comprising tetrazoles HENKEL AG & CO KGAA (DE) 2009-12-30 EP disclosed
EP-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP 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-10874686-B2 Anthranilyl-adenosinemonosulfamate analogs and uses thereof ATIC, SLC35B2, ADORA1 TRPV1 1406/4885CNR1 3109/4885CNR2 3483/4885
US-20190038656-A1 ANTHRANILYL-ADENOSINEMONOSULFAMATE ANALOGS AND USES THEREOF ATIC, SLC35B2, ADORA1 TRPV1 1406/4885CNR1 3109/4885CNR2 3483/4885

“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.