Sugi Predict

Sugi Predict / Compounds / SCHEMBL1701703

SCHEMBL1701703

SCHEMBL1701703

COc1cc2c(cc1Br)CCC2

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 7/20 0.69
▸ HTR2B P41595 6/20 0.69
▸ HTR2A P28223 6/20 0.69
▸ CYP3A4 P08684 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ CHRNA7 P36544 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ GRIN2D O15399 1/20 0.41
▸ GRIN3B O60391 1/20 0.41
▸ GRIN1 Q05586 1/20 0.41
▸ GRIN2A Q12879 1/20 0.41
▸ GRIN2B Q13224 1/20 0.41
▸ GRIN2C Q14957 1/20 0.41
▸ GRIN3A Q8TCU5 1/20 0.41
▸ CYP19A1 P11511 2/20 0.41

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
SCHEMBL6164757 0.96 HTR2C (0.69) HTR2CHTR2BHTR2ACYP3A4MAPT
SCHEMBL5045112 0.84 MAPT (0.62) HTR2CHTR2BHTR2ACYP3A4MAPT
SCHEMBL22028099 0.82 CYP3A4 (0.68) HTR2CHTR2BHTR2ACYP3A4MAPT
SCHEMBL10703656 0.82 MAOA (0.65) HTR2CHTR2BHTR2AMAPTCHRNA7
SCHEMBL10700958 0.82 HTR2C (1.00) HTR2CHTR2BHTR2A
SCHEMBL14052726 0.81 HSD17B1 (0.50) HTR2CHTR2BHTR2ACYP3A4MAPT
SCHEMBL28633834 0.81 HSD17B1 (0.50) HTR2CHTR2BHTR2AKDM4EMAOA
SCHEMBL30759603 0.81 HSD17B1 (0.50) HTR2CHTR2BHTR2ACYP3A4MAPT
SCHEMBL30668066 0.81 HTR2C (0.56) HTR2CHTR2BHTR2ACYP3A4MAPT
SCHEMBL26685053 0.81 HTR2C (0.56) HTR2CHTR2BHTR2ACYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11905248-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2024-02-20 — — US disclosed
US-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2020-10-08 — — US disclosed
US-10703722-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2020-07-07 — — US disclosed
EP-2563776-B1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC (US) 2016-06-08 — — EP disclosed
EP-2563776-B1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC (US) 2016-06-08 — — EP disclosed
US-20150322012-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-11-12 — — US disclosed
US-9120751-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-09-01 — — US disclosed
US-9120751-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-09-01 — — US disclosed
US-8980629-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-03-17 — — US disclosed
US-8980629-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-03-17 — — US disclosed
WO-2011139489-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-11-10 — — WO disclosed
WO-2011139489-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-11-10 — — WO disclosed
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-10-27 — — US disclosed
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-10-27 — — US disclosed
US-6964965-B2 Substituted pyrazine derivatives PHARMACIA & UPJOHN (US) 2005-11-15 — — US disclosed
US-6872743-B2 sPLA2 inhibitors ELI LILLY AND COMPANY (US) 2005-03-29 — — US disclosed
US-20040063941-A1 Novel spla2 inhibitors BEIGHT DOUGLAS WADE (US) 2004-04-01 — — US disclosed
US-20040053941-A1 Substituted pyrazine derivatives PHARMACIA & UPJOHN COMPANY 2004-03-18 — — US disclosed
EP-1345898-A2 TERACYCLIC CARBAZOLE DERIVATES AND THEIR USE AS SPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 2003-09-24 — — EP disclosed
WO-2002050034-A2 TETRACYCLIC CARBAZOLE DERIVATES AND THEIR USE AS SPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 2002-06-27 — — 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 (7 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-20040053941-A1 Substituted pyrazine derivatives CRHR1, CRHR2, CRH HTR2C 19/4885HTR2B 49/4885HTR2A 32/4885
US-20150322012-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 HTR2C 2259/4885HTR2B 2315/4885HTR2A 1561/4885
US-20040063941-A1 Novel spla2 inhibitors PLA2G12A, PLAAT2, SPINT2 HTR2C 2500/4885HTR2B 1467/4885HTR2A 873/4885
US-10703722-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 HTR2C 2259/4885HTR2B 2315/4885HTR2A 1561/4885
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 HTR2C 2259/4885HTR2B 2315/4885HTR2A 1561/4885
US-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 HTR2C 2259/4885HTR2B 2315/4885HTR2A 1561/4885
US-11905248-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 HTR2C 2259/4885HTR2B 2315/4885HTR2A 1561/4885

“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.