SCHEMBL16138977

SCHEMBL16138977

CCOC(=O)C(C)(CCCBr)c1ccc(CO)c(CO)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 5/20 0.39
▸ CYP4A11 Q02928 5/20 0.39
▸ CNR2 P34972 5/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ KLF10 Q13118 1/20 0.33
▸ PPARA Q07869 2/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ ABCB11 O95342 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ PMP22 Q01453 1/20 0.32
▸ VDR P11473 1/20 0.31
▸ PPARG P37231 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL16139131 0.87 KLF10 (0.35) CNR2CNR1KLF10
SCHEMBL16138749 0.86 CYP4F2 (0.39) CYP4F2CYP4A11CNR2CNR1KLF10
SCHEMBL16138982 0.84 MEN1 (0.35) CNR2CNR1KLF10
SCHEMBL16138980 0.84 CYP4F2 (0.38) CYP4F2CYP4A11CNR2CNR1PPARA
SCHEMBL16139142 0.82 CYP4F2 (0.36) CYP4F2CYP4A11CNR2CNR1CYP1A2
SCHEMBL16138748 0.81 CCR1 (0.39) CYP4F2CYP4A11CNR2CNR1TSHR
SCHEMBL3015792 0.80 CNR2 (0.43) CNR2CNR1ALDH1A1CYP2C19MAPT
SCHEMBL28860731 0.80 ESR1 (0.35) CYP4F2CYP4A11CNR2CNR1KLF10
SCHEMBL3285585 0.79 PIN1 (0.44) CYP4F2CYP4A11CYP1A2CYP3A4TSHR
SCHEMBL3279118 0.78 CYP4F2 (0.39) CYP4F2CYP4A11CNR2CNR1PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230255923-A1 SHORT ACTING PHENYLALKYLAMINE CALCIUM CHANNEL BLOCKERS AND USES THEREOF MILESTONE PHARMACEUTICALS INC (CA) 2023-08-17 — — US disclosed
US-10010523-B2 Short acting phenylalkylamine calcium channel blockers and uses thereof MILESTONE PHARMACEUTICALS INC. (CA) 2018-07-03 — — US disclosed
US-10010522-B2 Short acting phenylalkylamine calcium channel blockers and uses thereof MILESTONE PHARMACEUTICALS INC. (CA) 2018-07-03 — — US disclosed
US-10010524-B2 Short acting phenylalkylamine calcium channel blockers and uses thereof MILESTONE PHARMACEUTICALS INC. (CA) 2018-07-03 — — US disclosed
US-20170312242-A1 SHORT ACTING PHENYLALKYLAMINE CALCIUM CHANNEL BLOCKERS AND USES THEREOF ACQUIOM AGENCY SERVICES, LLC 2017-11-02 — — US disclosed
US-20170312243-A1 SHORT ACTING PHENYLALKYLAMINE CALCIUM CHANNEL BLOCKERS AND USES THEREOF ACQUIOM AGENCY SERVICES, LLC 2017-11-02 — — US disclosed
US-20170312241-A1 SHORT ACTING PHENYLALKYLAMINE CALCIUM CHANNEL BLOCKERS AND USES THEREOF ACQUIOM AGENCY SERVICES, LLC 2017-11-02 — — US disclosed
US-9737503-B2 Short acting phenylalkylamine calcium channel blockers and uses thereof MILESTONE PHARMACEUTICALS INC. (CA) 2017-08-22 — — US disclosed
US-20160374982-A1 SHORT ACTING PHENYLALKYLAMINE CALCIUM CHANNEL BLOCKERS AND USES THEREOF ACQUIOM AGENCY SERVICES, LLC 2016-12-29 — — US disclosed
US-9463179-B2 Short acting phenylalkylamine calcium channel blockers and uses thereof MILESTONE PHARMACEUTICALS INC. (CA) 2016-10-11 — — US disclosed
US-20160074354-A1 SHORT ACTING PHENYLALKYLAMINE CALCIUM CHANNEL BLOCKERS AND USES THEREOF ACQUIOM AGENCY SERVICES, LLC 2016-03-17 — — 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 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-20230255923-A1 SHORT ACTING PHENYLALKYLAMINE CALCIUM CHANNEL BLOCKERS AND USES THEREOF ORAI1, ATP2A1, RYR2 CYP4F2 3383/4885CYP4A11 2712/4885CNR2 362/4885
US-20160374982-A1 SHORT ACTING PHENYLALKYLAMINE CALCIUM CHANNEL BLOCKERS AND USES THEREOF ORAI1, ATP2A1, RYR2 CYP4F2 3383/4885CYP4A11 2712/4885CNR2 362/4885
US-20170312243-A1 SHORT ACTING PHENYLALKYLAMINE CALCIUM CHANNEL BLOCKERS AND USES THEREOF ORAI1, ATP2A1, RYR2 CYP4F2 3383/4885CYP4A11 2712/4885CNR2 362/4885
US-10010524-B2 Short acting phenylalkylamine calcium channel blockers and uses thereof ORAI1, ATP2A1, RYR2 CYP4F2 3383/4885CYP4A11 2712/4885CNR2 362/4885
US-20140296335-A1 SHORT ACTING PHENYLALKYLAMINE CALCIUM CHANNEL BLOCKERS AND USES THEREOF ORAI1, ATP2A1, RYR2 CYP4F2 3383/4885CYP4A11 2712/4885CNR2 362/4885
US-10010522-B2 Short acting phenylalkylamine calcium channel blockers and uses thereof ORAI1, ATP2A1, RYR2 CYP4F2 3383/4885CYP4A11 2712/4885CNR2 362/4885
US-20160074354-A1 SHORT ACTING PHENYLALKYLAMINE CALCIUM CHANNEL BLOCKERS AND USES THEREOF ORAI1, ATP2A1, RYR2 CYP4F2 3383/4885CYP4A11 2712/4885CNR2 362/4885
US-20170312241-A1 SHORT ACTING PHENYLALKYLAMINE CALCIUM CHANNEL BLOCKERS AND USES THEREOF ORAI1, ATP2A1, RYR2 CYP4F2 3383/4885CYP4A11 2712/4885CNR2 362/4885
US-10010523-B2 Short acting phenylalkylamine calcium channel blockers and uses thereof ORAI1, ATP2A1, RYR2 CYP4F2 3383/4885CYP4A11 2712/4885CNR2 362/4885
US-20170312242-A1 SHORT ACTING PHENYLALKYLAMINE CALCIUM CHANNEL BLOCKERS AND USES THEREOF ORAI1, ATP2A1, RYR2 CYP4F2 3383/4885CYP4A11 2712/4885CNR2 362/4885

“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.

Send feedback