SCHEMBL24700291

SCHEMBL24700291

CC1(C)CC(N2CCCCC2)C(Cc2ccccc2)CN1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 4/20 0.38
▸ SLC18A3 Q16572 1/20 0.37
▸ GBA1 P04062 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ HSD11B1 P28845 1/20 0.34
▸ HRH3 Q9Y5N1 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
Hydrochloric Acid SCHEMBL23124238 0.99 SIGMAR1 (0.37) SIGMAR1SLC18A3GBA1TSHRHTT
SCHEMBL23139690 0.77 SIGMAR1 (0.40) SIGMAR1SLC18A3
SCHEMBL24700601 0.77 KCNH2 (0.44) —
Hydrochloric Acid SCHEMBL23123346 0.76 KCNH2 (0.45) —
SCHEMBL248803 0.71 TDP1 (0.51) SIGMAR1SLC18A3TSHRHTT
SCHEMBL23139662 0.69 ALPL (0.31) —
Hydrochloric Acid SCHEMBL23123283 0.67 ALPL (0.31) —
SCHEMBL9850474 0.67 SLC18A3 (0.54) SIGMAR1SLC18A3
SCHEMBL23124014 0.67 HRH3 (0.43) SIGMAR1TSHRHTTHRH3
SCHEMBL11766707 0.61 ALDH1A1 (0.36) SIGMAR1TSHRHSD11B1

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 SIGMAR1 1641/4885SLC18A3 2438/4885GBA1 1/4885

“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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