SCHEMBL2996451

SCHEMBL2996451

CCOC(=O)c1ccc(C(C#N)(CCCBr)C(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
CYP3A4 P08684 2/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
MAOA P21397 1/20 0.40
HPGD P15428 4/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HSP90AA1 P07900 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL3002527 0.88 CYP3A4 (0.46) CA1CA2CYP3A4LMNACYP1A2
SCHEMBL3011964 0.87 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL13266715 0.76 ABCB1 (0.64) CA12CA1CA2CA7CA9
SCHEMBL8751165 0.75 EBP (0.59) CYP3A4LMNACYP1A2HTTCACNA1B
SCHEMBL7315065 0.75 EBP (0.51) CYP3A4ALDH1A1EBPSIGMAR1SMN1; SMN2
SCHEMBL3000019 0.74 CYP3A4 (0.45) CYP3A4LMNACYP1A2HTTCACNA1B
SCHEMBL29580079 0.74 ABCB1 (0.74) CYP3A4LMNACYP1A2HTTALDH1A1
SCHEMBL15956284 0.72 CA1 (0.54) CA12CA1CA2CA7CA9
SCHEMBL5751877 0.71 CYP3A4 (0.40) CA12CA1CA2CA7CA9
SCHEMBL7121992 0.70 EBP (0.48) CYP3A4ALDH1A1EBPSIGMAR1SMN1; SMN2

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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250195462-A1 SHORT ACTING PHENYLALKYLAMINE CALCIUM CHANNEL BLOCKERS AND USES THEREOF MILESTONE PHARMACEUTICALS INC (CA) 2025-06-19 US disclosed
US-20240366552-A1 SHORT ACTING PHENYLALKYLAMINE CALCIUM CHANNEL BLOCKERS AND USES THEREOF MILESTONE PHARMACEUTICALS INC (CA) 2024-11-07 US disclosed
US-20240115543-A1 SHORT ACTING PHENYLALKYLAMINE CALCIUM CHANNEL BLOCKERS AND USES THEREOF MILESTONE PHARMACEUTICALS INC (CA) 2024-04-11 US disclosed
US-20230255923-A1 SHORT ACTING PHENYLALKYLAMINE CALCIUM CHANNEL BLOCKERS AND USES THEREOF MILESTONE PHARMACEUTICALS INC (CA) 2023-08-17 US disclosed
US-20230255923-A1 SHORT ACTING PHENYLALKYLAMINE CALCIUM CHANNEL BLOCKERS AND USES THEREOF MILESTONE PHARMACEUTICALS INC (CA) 2023-08-17 US disclosed
US-20230255923-A1 SHORT ACTING PHENYLALKYLAMINE CALCIUM CHANNEL BLOCKERS AND USES THEREOF MILESTONE PHARMACEUTICALS INC (CA) 2023-08-17 US disclosed
US-20220142963-A1 SHORT ACTING PHENYLALKYLAMINE CALCIUM CHANNEL BLOCKERS AND USES THEREOF MILESTONE PHARMACEUTICALS INC (CA) 2022-05-12 US disclosed
US-20220142963-A1 SHORT ACTING PHENYLALKYLAMINE CALCIUM CHANNEL BLOCKERS AND USES THEREOF MILESTONE PHARMACEUTICALS INC (CA) 2022-05-12 US disclosed
US-20210315855-A1 SHORT ACTING PHENYLALKYLAMINE CALCIUM CHANNEL BLOCKERS AND USES THEREOF MILESTONE PHARMACEUTICALS INC (CA) 2021-10-14 US disclosed
US-20210315855-A1 SHORT ACTING PHENYLALKYLAMINE CALCIUM CHANNEL BLOCKERS AND USES THEREOF MILESTONE PHARMACEUTICALS INC (CA) 2021-10-14 US disclosed
US-9227918-B2 Short acting phenylalkylamine calcium channel blockers and uses thereof MILESTONE PHARMACEUTICALS (CA) 2016-01-05 US disclosed
US-20140296335-A1 SHORT ACTING PHENYLALKYLAMINE CALCIUM CHANNEL BLOCKERS AND USES THEREOF ACQUIOM AGENCY SERVICES, LLC 2014-10-02 US disclosed
US-20140296335-A1 SHORT ACTING PHENYLALKYLAMINE CALCIUM CHANNEL BLOCKERS AND USES THEREOF ACQUIOM AGENCY SERVICES, LLC 2014-10-02 US disclosed
US-20140296335-A1 SHORT ACTING PHENYLALKYLAMINE CALCIUM CHANNEL BLOCKERS AND USES THEREOF ACQUIOM AGENCY SERVICES, LLC 2014-10-02 US disclosed
EP-2170050-B1 Short acting phenylalkylamine calcium channel blockers and uses thereof MILESTONE PHARMACEUTICALS INC (CA) 2014-06-18 EP disclosed
US-20100190852-A1 SHORT ACTING PHENYLALKYLAMINE CALCIUM CHANNEL BLOCKERS AND USES THEREOF MILESTONE PHARMACEUTICALS INC. (CA) 2010-07-29 US disclosed
US-20100190852-A1 SHORT ACTING PHENYLALKYLAMINE CALCIUM CHANNEL BLOCKERS AND USES THEREOF MILESTONE PHARMACEUTICALS INC. (CA) 2010-07-29 US disclosed
US-20100190852-A1 SHORT ACTING PHENYLALKYLAMINE CALCIUM CHANNEL BLOCKERS AND USES THEREOF MILESTONE PHARMACEUTICALS INC. (CA) 2010-07-29 US disclosed
EP-2170050-A1 SHORT ACTING PHENYLALKYLAMINE CALCIUM CHANNEL BLOCKERS AND USES THEREOF Milestone Pharmaceuticals Inc. (CA) 2010-04-07 EP disclosed
WO-2008156820-A1 SHORT ACTING PHENYLALKYLAMINE CALCIUM CHANNEL BLOCKERS AND USES THEREOF MILESTONE PHARMACEUTICALS INC. (CA) 2008-12-24 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 (8 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-20240115543-A1 SHORT ACTING PHENYLALKYLAMINE CALCIUM CHANNEL BLOCKERS AND USES THEREOF ORAI1, ATP2A1, RYR2 CA12 4253/4885CA1 2923/4885CA2 74/4885
US-20220142963-A1 SHORT ACTING PHENYLALKYLAMINE CALCIUM CHANNEL BLOCKERS AND USES THEREOF ORAI1, ATP2A1, RYR2 CA12 4253/4885CA1 2923/4885CA2 74/4885
US-20230255923-A1 SHORT ACTING PHENYLALKYLAMINE CALCIUM CHANNEL BLOCKERS AND USES THEREOF ORAI1, ATP2A1, RYR2 CA12 4253/4885CA1 2923/4885CA2 74/4885
US-20240366552-A1 SHORT ACTING PHENYLALKYLAMINE CALCIUM CHANNEL BLOCKERS AND USES THEREOF ORAI1, ATP2A1, RYR2 CA12 4253/4885CA1 2923/4885CA2 74/4885
US-20210315855-A1 SHORT ACTING PHENYLALKYLAMINE CALCIUM CHANNEL BLOCKERS AND USES THEREOF ORAI1, ATP2A1, RYR2 CA12 4253/4885CA1 2923/4885CA2 74/4885
US-20140296335-A1 SHORT ACTING PHENYLALKYLAMINE CALCIUM CHANNEL BLOCKERS AND USES THEREOF ORAI1, ATP2A1, RYR2 CA12 4253/4885CA1 2923/4885CA2 74/4885
US-20100190852-A1 SHORT ACTING PHENYLALKYLAMINE CALCIUM CHANNEL BLOCKERS AND USES THEREOF ORAI1, ATP2A1, RYR2 CA12 4253/4885CA1 2923/4885CA2 74/4885
US-20250195462-A1 SHORT ACTING PHENYLALKYLAMINE CALCIUM CHANNEL BLOCKERS AND USES THEREOF ORAI1, ATP2A1, RYR2 CA12 4253/4885CA1 2923/4885CA2 74/4885

“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.