SCHEMBL22734741

SCHEMBL22734741

CC(C)(CC=O)c1nc2ccccc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.51
▸ DDAH1 O94760 1/20 0.44
▸ KDM4E B2RXH2 3/20 0.43
▸ TXN P10599 1/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ TP53 P04637 2/20 0.42
▸ PKM P14618 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ ABCB11 O95342 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.41
▸ BCHE P06276 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40

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
SCHEMBL13073559 0.80 NPSR1 (0.58) NPSR1DDAH1KDM4ETXNCYP1A2
SCHEMBL22016725 0.79 NPSR1 (0.56) NPSR1DDAH1KDM4ETXNCYP1A2
SCHEMBL22926257 0.78 NPSR1 (0.54) NPSR1DDAH1KDM4ETXNCYP1A2
SCHEMBL229852 0.77 NPSR1 (0.68) NPSR1DDAH1KDM4ETXNCYP1A2
SCHEMBL20476291 0.76 NPSR1 (0.53) NPSR1DDAH1KDM4ETXNCYP1A2
SCHEMBL846351 0.76 NPSR1 (0.66) NPSR1DDAH1KDM4ETXNALDH1A1
SCHEMBL30633367 0.76 NPSR1 (0.66) NPSR1DDAH1KDM4ETXNALDH1A1
SCHEMBL14361622 0.75 NPSR1 (0.51) NPSR1DDAH1KDM4ETXNCYP1A2
SCHEMBL22017033 0.74 NPSR1 (0.50) NPSR1DDAH1KDM4ETXNCYP1A2
SCHEMBL20283848 0.73 NPSR1 (0.58) NPSR1DDAH1KDM4ETXNCYP1A2

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 4 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

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 2663/4885DDAH1 2205/4885KDM4E 528/4885
US-20200385367-A1 CALCIUM CHANNEL INHIBITORS CACNA1F, ORAI1, CACNA1E NPSR1 2663/4885DDAH1 2205/4885KDM4E 528/4885

“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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