SCHEMBL23123709

SCHEMBL23123709

CC1CCC(c2ccccc2)CN1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SRD5A1 P18405 1/20 0.50
▸ AKR1C3 P42330 1/20 0.46
▸ AKR1C1 Q04828 1/20 0.46
▸ RAB9A P51151 5/20 0.44
▸ NPC1 O15118 4/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ POLB P06746 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ LMNA P02545 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ HCRTR1 O43613 3/20 0.41
▸ HCRTR2 O43614 3/20 0.41
▸ BRD4 O60885 2/20 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
SCHEMBL24700143 0.81 HCRTR2 (0.47) SRD5A1TP53LMNAMAPTKMT2A
SCHEMBL27764385 0.76 GRIN2B (0.51) ALDH1A1SMN1; SMN2
Bicarbonate SCHEMBL7573346 0.72 AKR1C3 (0.63) AKR1C3AKR1C1RAB9ANPC1ALDH1A1
Bicarbonate SCHEMBL1720488 0.72 AKR1C3 (0.63) AKR1C3AKR1C1RAB9ANPC1ALDH1A1
SCHEMBL25328503 0.72 OPRM1 (0.40) SMN1; SMN2POLBKMT2A
SCHEMBL16966496 0.72 MAPT (0.55) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL3183827 0.71 RAB9A (0.67) RAB9ANPC1ALDH1A1SMN1; SMN2POLB
SCHEMBL3183837 0.71 RAB9A (0.67) RAB9ANPC1ALDH1A1SMN1; SMN2POLB
SCHEMBL3184817 0.71 RAB9A (0.67) RAB9ANPC1ALDH1A1SMN1; SMN2POLB
SCHEMBL26676803 0.71 LIPE (0.43) ALDH1A1SMN1; SMN2POLBLMNAHPGD

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-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
WO-2021055630-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL- BIOTECH INVESTMENTS, INC. (US) 2021-03-25 — — WO 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 SRD5A1 2921/4885AKR1C3 1397/4885AKR1C1 1183/4885

“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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