SCHEMBL16138749

SCHEMBL16138749

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 6/20 0.39
▸ CYP4A11 Q02928 6/20 0.39
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ VDR P11473 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ ESR1 P03372 1/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ PIN1 Q13526 1/20 0.31
▸ KLF10 Q13118 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ TSHR P16473 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
SCHEMBL16139142 0.95 CYP4F2 (0.36) CYP4F2CYP4A11CNR1CNR2CYP1A2
SCHEMBL16138747 0.87 ALDH1A1 (0.35) CYP4F2CYP4A11CNR1CNR2ALDH1A1
SCHEMBL16138977 0.86 CYP4F2 (0.39) CYP4F2CYP4A11CNR1CNR2CYP1A2
SCHEMBL16138980 0.85 CYP4F2 (0.38) CYP4F2CYP4A11CNR1CNR2CYP1A2
SCHEMBL16138748 0.82 CCR1 (0.39) CYP4F2CYP4A11CNR1CNR2TSHR
SCHEMBL16138826 0.81 DGAT1 (0.32) CNR1CNR2ALDH1A1KLF10
SCHEMBL16138827 0.80 MEN1 (0.33) ALDH1A1
SCHEMBL3006615 0.80 CNR2 (0.41) CNR2CYP2C19SMN1; SMN2ALDH1A1LMNA
SCHEMBL31625015 0.80 CNR2 (0.41) CNR2CYP2C19SMN1; SMN2ALDH1A1LMNA
SCHEMBL22119058 0.78 PIN1 (0.45) CYP4F2CYP4A11CYP1A2CYP2C9CYP2C19

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-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-20170312242-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 2712/4885CNR1 770/4885
US-20160374982-A1 SHORT ACTING PHENYLALKYLAMINE CALCIUM CHANNEL BLOCKERS AND USES THEREOF ORAI1, ATP2A1, RYR2 CYP4F2 3383/4885CYP4A11 2712/4885CNR1 770/4885
US-20170312243-A1 SHORT ACTING PHENYLALKYLAMINE CALCIUM CHANNEL BLOCKERS AND USES THEREOF ORAI1, ATP2A1, RYR2 CYP4F2 3383/4885CYP4A11 2712/4885CNR1 770/4885
US-10010524-B2 Short acting phenylalkylamine calcium channel blockers and uses thereof ORAI1, ATP2A1, RYR2 CYP4F2 3383/4885CYP4A11 2712/4885CNR1 770/4885
US-20140296335-A1 SHORT ACTING PHENYLALKYLAMINE CALCIUM CHANNEL BLOCKERS AND USES THEREOF ORAI1, ATP2A1, RYR2 CYP4F2 3383/4885CYP4A11 2712/4885CNR1 770/4885
US-10010522-B2 Short acting phenylalkylamine calcium channel blockers and uses thereof ORAI1, ATP2A1, RYR2 CYP4F2 3383/4885CYP4A11 2712/4885CNR1 770/4885
US-20160074354-A1 SHORT ACTING PHENYLALKYLAMINE CALCIUM CHANNEL BLOCKERS AND USES THEREOF ORAI1, ATP2A1, RYR2 CYP4F2 3383/4885CYP4A11 2712/4885CNR1 770/4885
US-20170312241-A1 SHORT ACTING PHENYLALKYLAMINE CALCIUM CHANNEL BLOCKERS AND USES THEREOF ORAI1, ATP2A1, RYR2 CYP4F2 3383/4885CYP4A11 2712/4885CNR1 770/4885
US-10010523-B2 Short acting phenylalkylamine calcium channel blockers and uses thereof ORAI1, ATP2A1, RYR2 CYP4F2 3383/4885CYP4A11 2712/4885CNR1 770/4885
US-20170312242-A1 SHORT ACTING PHENYLALKYLAMINE CALCIUM CHANNEL BLOCKERS AND USES THEREOF ORAI1, ATP2A1, RYR2 CYP4F2 3383/4885CYP4A11 2712/4885CNR1 770/4885

“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