SCHEMBL14716495

SCHEMBL14716495

C1=C(Cc2ccccc2)C2C=C(Cc3ccccc3)C1C2

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.48
LTA4H P09960 2/20 0.36
BCL2 P10415 1/20 0.35
BCL2L1 Q07817 1/20 0.35
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
ADRA2A P08913 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34

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
SCHEMBL29421931 0.86 CALM1 (0.48) CALM1
SCHEMBL4632216 0.71 CALM1 (0.52) CALM1BCL2BCL2L1LMNATSHR
Diphenylmethane SCHEMBL28172316 0.68 CALM1 (1.00) CALM1LTA4HBCL2BCL2L1LMNA
Diphenylmethane SCHEMBL4361124 0.68 CALM1 (1.00) CALM1LTA4HBCL2BCL2L1LMNA
Diphenylmethane SCHEMBL1303 0.68 CALM1 (1.00) CALM1LTA4HBCL2BCL2L1LMNA
Diphenylmethane SCHEMBL14763944 0.68 CALM1 (1.00) CALM1LTA4HBCL2BCL2L1LMNA
Diphenylmethane SCHEMBL3792579 0.68 CALM1 (1.00) CALM1LTA4HBCL2BCL2L1LMNA
Diphenylmethane SCHEMBL28072604 0.66 CALM1 (0.80) CALM1LTA4HBCL2BCL2L1LMNA
Diphenylmethane SCHEMBL28085719 0.66 CALM1 (0.80) CALM1LTA4HBCL2BCL2L1LMNA
Diphenylmethane SCHEMBL25403056 0.65 CALM1 (0.92) CALM1LTA4HBCL2BCL2L1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3995492-B1 A TWO-STEP PROCESS FOR PREPARING 3-SUBSTITUTED PHENYLALKYLAMINES SpecGx LLC (US) 2024-05-29 EP disclosed
EP-3166923-B1 PROCESS FOR PREPARING SUBSTITUTED PHENYLALKANES SpecGx LLC (US) 2023-03-15 EP disclosed
EP-3995492-A1 A TWO-STEP PROCESS FOR PREPARING 3-SUBSTITUTED PHENYLALKYLAMINES SpecGx LLC (US) 2022-05-11 EP disclosed
EP-3319941-B1 A TWO-STEP PROCESS FOR PREPARING 3-SUBSTITUTED PHENYLALKYLAMINES SpecGx LLC (US) 2021-12-29 EP disclosed
EP-3319941-A1 A TWO-STEP PROCESS FOR PREPARING 3-SUBSTITUTED PHENYLALKYLAMINES SpecGx, LLC (US) 2018-05-16 EP disclosed
US-9914695-B2 Two-step process for preparing 3-substituted phenylalkylamines MALLINCKRODT LLC (US) 2018-03-13 US disclosed
EP-3166923-A1 PROCESS FOR PREPARING SUBSTITUTED PHENYLALKANES Mallinckrodt LLC (US) 2017-05-17 EP disclosed
US-9556108-B2 Process for preparing substituted phenylalkanes MALLINCKRODT LLC (US) 2017-01-31 US disclosed
WO-2017011231-A1 A TWO-STEP PROCESS FOR PREPARING 3-SUBSTITUTED PHENYLALKYLAMINES MALLINCKRODT LLC (US) 2017-01-19 WO disclosed
EP-2533644-B1 DIAZENIUMDIOLATE CYCLOPENTYL DERIVATIVES MERCK SHARP & DOHME (US) 2017-01-18 EP disclosed
US-20170008832-A1 TWO-STEP PROCESS FOR PREPARING 3-SUBSTITUTED PHENYLALKYLAMINES MALLINCKRODT ENTERPRISES LLC 2017-01-12 US disclosed
US-20160009635-A1 PROCESS FOR PREPARING SUBSTITUTED PHENYLALKANES MALLINCKRODT PHARMA IP TRADING UNLIMITED COMPANY 2016-01-14 US disclosed
WO-2016007823-A1 PROCESS FOR PREPARING SUBSTITUTED PHENYLALKANES MALLINCKRODT LLC (US) 2016-01-14 WO disclosed
US-8648058-B2 Diazeniumdiolate cyclopentyl derivatives MERCK SHARP & DOHME CORP. (US) 2014-02-11 US disclosed
US-20130053352-A1 DIAZENIUMDIOLATE CYCLOPENTYL DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2013-02-28 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 (3 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-20160009635-A1 PROCESS FOR PREPARING SUBSTITUTED PHENYLALKANES CYP2E1, CYP1B1, CYP4B1 CALM1 4108/4885LTA4H 654/4885BCL2 1785/4885
US-20170008832-A1 TWO-STEP PROCESS FOR PREPARING 3-SUBSTITUTED PHENYLALKYLAMINES PNMT, CYP1B1, UGT2B7 CALM1 3936/4885LTA4H 3149/4885BCL2 1678/4885
US-20130053352-A1 DIAZENIUMDIOLATE CYCLOPENTYL DERIVATIVES OR10J3, OXSR1, OXER1 CALM1 3364/4885LTA4H 3735/4885BCL2 3408/4885

“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.