SCHEMBL24206296

SCHEMBL24206296

CC(C)CC(C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NC(C)(C)C)N(C)C1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 7/20 0.51
MME P08473 1/20 0.47
ACE P12821 1/20 0.47
CPA1 P15085 1/20 0.47
ACE2 Q9BYF1 1/20 0.47
YAP1 P46937 1/20 0.47
REN P00797 1/20 0.46
PSMB5 P28074 5/20 0.46
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
IL1RN P18510 1/20 0.44
ERAP2 Q6P179 1/20 0.44
ERAP1 Q9NZ08 1/20 0.44
PSMB1 P20618 2/20 0.43
PSMB8 P28062 2/20 0.43
PSMB9 P28065 2/20 0.43
PSMB10 P40306 1/20 0.43
PSMB2 P49721 1/20 0.43

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
SCHEMBL17598384 1.00 CACNA1B (0.51) CACNA1BMMEACECPA1ACE2
SCHEMBL7369240 0.93 MME (0.47) CACNA1BMMEACECPA1ACE2
SCHEMBL7399618 0.92 CACNA1B (0.52) CACNA1BMMEACECPA1ACE2
SCHEMBL7367928 0.92 MME (0.46) CACNA1BMMEACECPA1ACE2
SCHEMBL5833387 0.89 YAP1 (0.44) CACNA1BMMEACECPA1ACE2
SCHEMBL7405818 0.89 CACNA1B (0.49) CACNA1BMMEACECPA1ACE2
SCHEMBL7409019 0.87 MME (0.54) CACNA1BMMEACECPA1ACE2
SCHEMBL5833569 0.87 GPR132 (0.46) CACNA1BMMEACECPA1ACE2
SCHEMBL5833222 0.86 REN (0.46) CACNA1BMMEACECPA1ACE2
SCHEMBL7369445 0.85 MME (0.52) CACNA1BMMEACECPA1ACE2

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-20230165812-A1 NOCICEPTOR NEURONS CONTROL CANCER IMMUNOSURVEILLANCE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-06-01 US disclosed
US-20220016046-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS CHILDREN'S MEDICAL CENTER CORPORATION (US) 2022-01-20 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-20230165812-A1 NOCICEPTOR NEURONS CONTROL CANCER IMMUNOSURVEILLANCE OPRL1, MRGPRX1, RAMP1 CACNA1B 33/4885MME 444/4885ACE 3456/4885
US-20220016046-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS CACNA1B, TRPV1, ORAI1 CACNA1B 1/4885MME 935/4885ACE 982/4885

“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.