SCHEMBL4868962

SCHEMBL4868962

Sc1ccc2c(c1)CNCC2

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PNMT P11086 9/20 0.60
ADRA2A P08913 3/20 0.60
ADRA2B P18089 2/20 0.60
ADRA2C P18825 2/20 0.60
DRD2 P14416 1/20 0.56
DRD3 P35462 1/20 0.56
CD44 P16070 1/20 0.54
MAOB P27338 1/20 0.54

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
Hydrochloric Acid SCHEMBL11479781 0.98 PNMT (0.58) PNMTADRA2AADRA2BADRA2CDRD2
SCHEMBL4877761 0.92 ASIC3 (0.60) PNMTADRA2AADRA2BADRA2CDRD2
SCHEMBL18986604 0.82 PNMT (0.38) PNMTADRA2AADRA2BADRA2CDRD2
SCHEMBL22268691 0.79 PNMT (0.60) PNMTADRA2AADRA2BADRA2CDRD2
SCHEMBL10282808 0.77 PNMT (0.62) PNMTADRA2AADRA2BADRA2CDRD2
SCHEMBL330080 0.75 PNMT (0.60) PNMTADRA2AADRA2BADRA2CDRD2
SCHEMBL552932 0.75 PNMT (1.00) PNMTADRA2AADRA2BADRA2CDRD2
SCHEMBL420370 0.75 PNMT (0.60) PNMTADRA2AADRA2BADRA2CDRD2
SCHEMBL329775 0.75 PNMT (1.00) PNMTADRA2AADRA2BADRA2CDRD2
SCHEMBL470826 0.75 PNMT (0.66) PNMTADRA2AADRA2BADRA2CDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023109909-A1 AROMATIC HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR AND USES THEREOF 上海翊石医药科技有限公司 2023-06-22 WO disclosed
US-20230002407-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2023-01-05 US disclosed
WO-2021028649-A1 PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-18 WO disclosed
WO-2021028645-A1 PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-18 WO disclosed
WO-2020210375-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF NUVATION BIO INC. (US) 2020-10-15 WO disclosed
US-20190169164-A1 BENZAZEPINE COMPOUNDS, CONJUGATES, AND USES THEREOF SILVERBACK THERAPEUTICS, INC. 2019-06-06 US disclosed
EP-2703392-B1 5-MEMBERED RING AROMATIC HETEROCYCLIC DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO (JP) 2017-06-14 EP disclosed
EP-2703392-A1 5-MEMBERED RING AROMATIC HETEROCYCLIC DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY Shionogi & Co., Ltd. (JP) 2014-03-05 EP disclosed
US-20080096916-A1 Drugs And Prodrugs Useful The Treatment Of Energy Balance In Ruminants PFIZER INC. (US) 2008-04-24 US disclosed
EP-1824484-A1 DRUGS AND PRODRUGS USEFUL FOR THE TREATMENT OF ENERGY BALANCE IN RUMINANTS Pfizer Products Incorporated (US) 2007-08-29 EP disclosed
WO-2006054166-A1 DRUGS AND PRODRUGS USEFUL FOR THE TREATMENT OF ENERGY BALANCE IN RUMINANTS PFIZER PRODUCTS INC. (US) 2006-05-26 WO disclosed
EP-1633747-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AS PPAR-A ACTIVATORS Pfizer Products Inc. (US) 2006-03-15 EP disclosed
US-6987118-B2 Tetrahydroisoquinoline derivatives as PPAR-alpha activators PFIZER INC. (US) 2006-01-17 US disclosed
US-20040248934-A1 Tetrahydroisoquinoline derivatives as PPAR-alpha activators PFIZER INC. 2004-12-09 US disclosed
WO-2004103997-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AS PPAR-α ACTIVATORS PFIZER PRODUCTS INC. (US) 2004-12-02 WO disclosed
CN-1305470-A Amidine compounds JAPAN TOBACCO INC (JP) 2001-07-25 CN 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 (4 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-20230002407-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS PNMT 476/4885ADRA2A 3317/4885ADRA2B 2913/4885
US-20190169164-A1 BENZAZEPINE COMPOUNDS, CONJUGATES, AND USES THEREOF TLR8, TLR3, TLR5 PNMT 596/4885ADRA2A 796/4885ADRA2B 880/4885
US-20040248934-A1 Tetrahydroisoquinoline derivatives as PPAR-alpha activators PPARA, PPARG, PPARD PNMT 1325/4885ADRA2A 161/4885ADRA2B 304/4885
US-20080096916-A1 Drugs And Prodrugs Useful The Treatment Of Energy Balance In Ruminants ALPP, PIGS, GYS2 PNMT 2457/4885ADRA2A 895/4885ADRA2B 1676/4885

“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.