SCHEMBL25820141

SCHEMBL25820141

CC(C)Cc1ccnc2ccc(C(=O)CO)cc12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.43
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
MTNR1A P48039 3/20 0.40
MTNR1B P49286 3/20 0.40
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
RET P07949 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
DPP4 P27487 3/20 0.34
CYP19A1 P11511 1/20 0.34
ROCK2 O75116 1/20 0.34
IP6K1 Q92551 1/20 0.33
IP6K3 Q96PC2 1/20 0.33
IP6K2 Q9UHH9 1/20 0.33
SLC2A1 P11166 1/20 0.33
IDO1 P14902 1/20 0.33
SMYD3 Q9H7B4 1/20 0.33

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
SCHEMBL25820138 0.86 TRPV1 (0.45) TRPV1CCNCCDK8MTNR1AMTNR1B
SCHEMBL25820139 0.86 SLC2A1 (0.47) TRPV1CCNCCDK8MTNR1AMTNR1B
SCHEMBL25820137 0.85 HRH4 (0.48) TRPV1CCNCCDK8MTNR1AMTNR1B
SCHEMBL25820094 0.77 SLC22A12 (0.42) TRPV1MTNR1AMTNR1BCYP19A1ROCK2
SCHEMBL25820095 0.75 HTR1A (0.51) TRPV1MTNR1AMTNR1BALDH1A1CYP19A1
SCHEMBL25820130 0.74 KDM4E (0.43) TRPV1MTNR1AMTNR1BALDH1A1ROCK2
SCHEMBL25820075 0.74 CCNC (0.42) TRPV1CCNCCDK8ROCK2IDO1
SCHEMBL25820152 0.72 HRH4 (0.46) TRPV1ALDH1A1RETHRH4
SCHEMBL25820108 0.71 IP6K1 (0.43) TRPV1ALDH1A1ROCK2IP6K1
SCHEMBL2494065 0.71 LOXL2 (0.58) ALDH1A1

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
US-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 US disclosed
US-20230183226-A1 AKT3 MODULATORS Georgiamune Inc. 2023-06-15 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 (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-20230183226-A1 AKT3 MODULATORS AKT3, AKT2, MTOR TRPV1 4750/4885CCNC 821/4885CDK8 567/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA TRPV1 4682/4885CCNC 491/4885CDK8 385/4885

“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.