SCHEMBL30128700

SCHEMBL30128700

COC1CC(C)(C)N(CCc2ccccc2)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ ADRA1D P25100 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ ADRA1B P35368 1/20 0.39
▸ CNR2 P34972 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ ACHE P22303 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HSD11B1 P28845 1/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ AMPD2 Q01433 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL29789870 0.86 AMPD2 (0.46) CNR2LMNAHSD11B1AMPD2SIGMAR1
SCHEMBL23124060 0.86 AMPD2 (0.46) CNR2LMNAHSD11B1AMPD2SIGMAR1
SCHEMBL9073590 0.82 SMN1; SMN2 (0.44) SMN1; SMN2TSHRNPSR1LMNATP53
SCHEMBL11835879 0.75 SIGMAR1 (0.46) SMN1; SMN2TSHRNPSR1OPRM1SIGMAR1
SCHEMBL23123417 0.74 P2RX4 (0.44) NPSR1CNR2LMNAHTTALDH1A1
SCHEMBL29789660 0.74 P2RX4 (0.44) NPSR1CNR2LMNAHTTALDH1A1
SCHEMBL11676504 0.73 CRHBP (0.38) SMN1; SMN2TSHRNPSR1HRH3ACHE
SCHEMBL11679808 0.72 HRH3 (0.45) HRH3OPRM1SIGMAR1
SCHEMBL9155272 0.69 CRHBP (0.48) SMN1; SMN2TSHRNPSR1LMNAHTT
SCHEMBL11677009 0.69 LTA4H (0.39) TSHRALDH1A1

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-20220380314-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL R&D INVEST S A (PT) 2022-12-01 — — 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-20220380314-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GBA1, GBA2, CLN6 SMN1; SMN2 66/4885TSHR 4313/4885NPSR1 1510/4885

“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.

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