SCHEMBL29647573

SCHEMBL29647573

COC(=O)[C@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 7/20 0.45
ATM Q13315 2/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 2/20 0.42
SCN5A Q14524 1/20 0.42
SCN9A Q15858 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL22345715 0.91 ATM (0.46) ALDH1A1ATMKMT2AMEN1POLB
SCHEMBL22345716 0.91 ATM (0.46) ALDH1A1ATMKMT2AMEN1POLB
SCHEMBL29647507 0.74 SIGMAR1 (0.33)
SCHEMBL10276800 0.74 ATM (0.49) CYP2D6CYP2C9CYP3A4CYP2C19ALDH1A1
SCHEMBL22360604 0.73 CYP2D6 (0.56) CYP2D6CYP2C9CYP3A4CYP2C19ALDH1A1
SCHEMBL22360516 0.73 RAB9A (0.44) ALDH1A1RAB9A
SCHEMBL22360567 0.73 RAB9A (0.44) ALDH1A1RAB9A
SCHEMBL29201725 0.72 CYP2D6 (0.58) CYP2D6CYP2C9CYP3A4CYP2C19ALDH1A1
SCHEMBL29647550 0.72 EPHX2 (0.32)
SCHEMBL10313031 0.72 CYP2D6 (0.55) CYP2D6CYP2C9CYP3A4CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250214954-A1 METHODS OF TREATING HIV USING TRITERPENE DERIVATIVES HETERO LABS LIMITED (IN) 2025-07-03 US disclosed
US-12275712-B2 Triterpene derivatives as HIV inhibitors HETERO LABS LIMITED (IN) 2025-04-15 US disclosed
EP-4248960-A2 NOVEL TRITERPENE DERIVATIVES AS HIV INHIBITORS Hetero Labs Limited (IN) 2023-09-27 EP disclosed
EP-3924361-B1 NOVEL TRITERPENE DERIVATIVES AS HIV INHIBITORS HETERO LABS LTD (IN) 2023-09-06 EP disclosed
US-20220177439-A1 NOVEL TRITERPENE DERIVATIVES AS HIV INHIBITORS HETERO LABS LIMITED (IN) 2022-06-09 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 (3 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-20220177439-A1 NOVEL TRITERPENE DERIVATIVES AS HIV INHIBITORS CYP51A1, CCR5, HSD17B7 CYP2D6 786/4885CYP2C9 791/4885CYP3A4 37/4885
US-12275712-B2 Triterpene derivatives as HIV inhibitors CCR5, CYP51A1, CYP4A11 CYP2D6 361/4885CYP2C9 256/4885CYP3A4 16/4885
US-20250214954-A1 METHODS OF TREATING HIV USING TRITERPENE DERIVATIVES CCR5, HSD17B7, CYP51A1 CYP2D6 296/4885CYP2C9 546/4885CYP3A4 43/4885

“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.