SCHEMBL25820138

SCHEMBL25820138

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.45
DPP4 P27487 1/20 0.44
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
IP6K1 Q92551 6/20 0.42
IP6K3 Q96PC2 6/20 0.42
IP6K2 Q9UHH9 6/20 0.42
ACE2 Q9BYF1 2/20 0.42
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 3/20 0.40
TP53 P04637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.40
HCAR3 P49019 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL25820139 0.89 SLC2A1 (0.47) TRPV1CCNCCDK8NPC1RAB9A
SCHEMBL25820137 0.87 HRH4 (0.48) TRPV1DPP4CCNCCDK8IP6K1
SCHEMBL25820141 0.86 TRPV1 (0.43) TRPV1DPP4CCNCCDK8IP6K1
SCHEMBL23809376 0.78 ACE2 (0.55) IP6K1IP6K3IP6K2ACE2NPC1
SCHEMBL25820095 0.77 HTR1A (0.51) TRPV1KDM4EPOLBALDH1A1LMNA
SCHEMBL25820094 0.77 SLC22A12 (0.42) TRPV1MTNR1AMTNR1B
SCHEMBL25820130 0.76 KDM4E (0.43) TRPV1MEN1KMT2AKDM4EALDH1A1
SCHEMBL25820075 0.76 CCNC (0.42) TRPV1CCNCCDK8
SCHEMBL25820089 0.75 PIK3CA (0.51)
SCHEMBL4641324 0.75 TDP1 (0.50) IP6K1IP6K3IP6K2NPC1RAB9A

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 4750/4885DPP4 3843/4885CCNC 821/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA TRPV1 4682/4885DPP4 3650/4885CCNC 491/4885

“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.