SCHEMBL24812062

SCHEMBL24812062

CCCCCC(CC)OCCN1CCN(C)CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
USP2 O75604 2/20 0.36
GNAI3 P08754 2/20 0.36
GNAO1 P09471 2/20 0.36
GNAI1 P63096 2/20 0.36
LTA4H P09960 1/20 0.36
DNM1 Q05193 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL22861471 0.98 NPC1 (0.40) HPGDNPC1TP53RAB9ATHRA
SCHEMBL24925935 0.92 HPGD (0.39) HPGDNPC1TP53RAB9ATHRA
SCHEMBL20333177 0.92 NPC1 (0.42) HPGDNPC1TP53RAB9ATHRA
SCHEMBL22890957 0.88 USP2 (0.33) HPGDNPC1TP53RAB9AUSP2
SCHEMBL22861369 0.87 USP2 (0.42) HPGDNPC1TP53RAB9ATHRA
SCHEMBL20356813 0.85 USP2 (0.37) HPGDNPC1TP53RAB9ATHRA
SCHEMBL27667664 0.85 GNAI3 (0.40) HPGDNPC1TP53RAB9ATHRA
SCHEMBL21566510 0.84 ALDH1A1 (0.47) THRATHRBUSP2ALDH1A1
SCHEMBL24641404 0.84 THRA (0.39) HPGDNPC1TP53RAB9ATHRA
SCHEMBL21348141 0.83 THRA (0.39) HPGDNPC1TP53RAB9ATHRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220411388-A1 SUBSTITUTED IMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL R&D INVEST S A (PT) 2022-12-29 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 (1 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-20220411388-A1 SUBSTITUTED IMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GBA1, GAA, CLN6 HPGD 1683/4885NPC1 41/4885TP53 1076/4885

“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.