SCHEMBL20476291

SCHEMBL20476291

CC(C)(CCO)c1nc2ccccc2[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.53
▸ CYP1A2 P05177 2/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ EPHX2 P34913 1/20 0.46
▸ DDAH1 O94760 1/20 0.45
▸ TXN P10599 1/20 0.44
▸ KDM4E B2RXH2 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ ABCB11 O95342 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ SCN10A Q9Y5Y9 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ IDO1 P14902 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
SCHEMBL22926257 0.85 NPSR1 (0.54) NPSR1CYP1A2CYP2C9DDAH1TXN
SCHEMBL14361622 0.83 NPSR1 (0.51) NPSR1CYP1A2CYP2C9DDAH1TXN
SCHEMBL13073559 0.81 NPSR1 (0.58) NPSR1CYP1A2DDAH1TXNKDM4E
SCHEMBL14361831 0.80 NPSR1 (0.49) NPSR1CYP1A2DDAH1KDM4EALDH1A1
SCHEMBL22016725 0.80 NPSR1 (0.56) NPSR1CYP1A2CYP2C9DDAH1TXN
SCHEMBL229852 0.79 NPSR1 (0.68) NPSR1CYP1A2DDAH1TXNKDM4E
SCHEMBL38661952 0.78 NPSR1 (0.61) NPSR1DDAH1TXNKDM4EALDH1A1
SCHEMBL15294544 0.78 NPSR1 (0.61) NPSR1CYP1A2CYP2C9DDAH1TXN
SCHEMBL846351 0.77 NPSR1 (0.66) NPSR1DDAH1TXNKDM4EALDH1A1
SCHEMBL30633367 0.77 NPSR1 (0.66) NPSR1DDAH1TXNKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11130750-B2 Calcium channel inhibitors CAVION, INC. (US) 2021-09-28 — — US disclosed
US-11130750-B2 Calcium channel inhibitors CAVION, INC. (US) 2021-09-28 — — US disclosed
US-20200385367-A1 CALCIUM CHANNEL INHIBITORS CAVION, INC. 2020-12-10 — — US disclosed
US-20200385367-A1 CALCIUM CHANNEL INHIBITORS CAVION, INC. 2020-12-10 — — US disclosed
CN-110545806-A calcium channel inhibitors CAVION INC 2019-12-06 — — CN disclosed
WO-2018152317-A1 CALCIUM CHANNEL INHIBITORS CAVION, INC. (US) 2018-08-23 — — 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 (2 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-11130750-B2 Calcium channel inhibitors CACNA1F, ORAI1, CACNA1E NPSR1 2663/4885CYP1A2 4490/4885CYP2C9 3409/4885
US-20200385367-A1 CALCIUM CHANNEL INHIBITORS CACNA1F, ORAI1, CACNA1E NPSR1 2663/4885CYP1A2 4490/4885CYP2C9 3409/4885

“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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