SCHEMBL702478

SCHEMBL702478

CC(N)c1ccc(Cl)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 1/20 0.50
▸ APP P05067 2/20 0.41
▸ PSEN1 P49768 1/20 0.41
▸ PSEN2 P49810 1/20 0.41
▸ APH1B Q8WW43 1/20 0.41
▸ NCSTN Q92542 1/20 0.41
▸ APH1A Q96BI3 1/20 0.41
▸ PSENEN Q9NZ42 1/20 0.41
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ HTR2A P28223 3/20 0.38
▸ HTR2C P28335 3/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ SLC6A3 Q01959 3/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ PDE2A O00408 1/20 0.37

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
SCHEMBL960516 1.00 ADRB2 (0.50) ADRB2APPPSEN1PSEN2APH1B
SCHEMBL30688937 1.00 ADRB2 (0.50) ADRB2APPPSEN1PSEN2APH1B
SCHEMBL957890 1.00 ADRB2 (0.50) ADRB2APPPSEN1PSEN2APH1B
SCHEMBL29809135 1.00 ADRB2 (0.50) ADRB2APPPSEN1PSEN2APH1B
Hydrochloric Acid SCHEMBL25385811 0.98 ADRB2 (0.48) ADRB2APPPSEN1PSEN2APH1B
Hydrochloric Acid SCHEMBL31123022 0.98 ADRB2 (0.48) ADRB2APPPSEN1PSEN2APH1B
Hydrochloric Acid SCHEMBL25385814 0.98 ADRB2 (0.48) ADRB2APPPSEN1PSEN2APH1B
SCHEMBL1556537 0.84 APP (0.39) ADRB2APPPSEN1PSEN2APH1B
SCHEMBL21817525 0.83 ADRB2 (0.56) ADRB2APPLMNATP53HTT
SCHEMBL643037 0.83 ADRB2 (0.56) ADRB2APPLMNATP53HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133187-B2 Serine/threonine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2015-09-15 — — US claimed
EP-2681215-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-04-22 — — EP claimed
CN-117229210-A Decahydroisoquinoline compound and preparation method and application thereof 中国科学院上海药物研究所 2023-12-15 — — CN disclosed
CN-114835687-B AhR inhibitors 北京华森英诺生物科技有限公司 2023-09-05 — — CN disclosed
CN-114835687-A AhR inhibitors 重庆华森制药股份有限公司 2022-08-02 — — CN disclosed
EP-2787992-B1 CYCLOALKANE CARBOXYLIC ACID DERIVATIVES AS CXCR3 RECEPTOR ANTAGONISTS SANOFI SA (FR) 2016-08-24 — — EP disclosed
WO-2016095088-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-06-23 — — WO disclosed
US-9133187-B2 Serine/threonine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2015-09-15 — — US disclosed
US-9073853-B2 Cycloalkane carboxylic acid derivatives as CXCR3 receptor antagonists SANOFI (FR) 2015-07-07 — — US disclosed
EP-2681215-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-04-22 — — EP disclosed
US-20140288106-A1 CYCLOALKANE CARBOXYLIC ACID DERIVATIVES AS CXCR3 RECEPTOR ANTAGONISTS SANOFI (FR) 2014-09-25 — — US disclosed
CN-1332725-A Thiourea inhibitors of herpes viruses AMERICAN HOME PROD (US) 2002-01-23 — — CN disclosed
US-6335350-B1 VARICELLA-ZOSTER, HUMAN CYTOMEGALO, EPSTEIN-BARR AND KAPOSI HERPESVIRUS TREATMENT AMERICAN HOME PRODUCTS CORPORATION 2002-01-01 — — US disclosed
US-6271236-B1 PHENYL UREAS/THIOUREAS AS INHIBITORS OF INOSINE MONOPHOSPHATE DEHYDROGENASE ENZYME, USEFUL IN TREATING HUMAN CYTOMEGALOVIRUS, HERPES SIMPLEX VIRUSES, EPSTEIN-BARR VIRUS, AND VARICELLA-ZOSTER VIRUS WYETH 2001-08-07 — — US disclosed
US-6262082-B1 Diaminopyridine-containing thiourea inhibitors of herpes viruses WYETH 2001-07-17 — — US disclosed
US-6262090-B1 Aminopyridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION 2001-07-17 — — US disclosed
US-6207715-B1 USEFUL IN THERAPY OF DISEASES ASSOCIATED WITH HERPES VIRUSES INCLUDING HUMAN CYTOMEGALOVIRUS, HERPES SIMPLEX VIRUSES, EPSTEIN-BARR VIRUS, VARICELLA-ZOSTER VIRUS, HUMAN HERPESVIRUSES-6 AND -7, AND KAPOSI HERPES VIRUS AMERICAN HOME PRODUCTS CORPORATION 2001-03-27 — — US disclosed
US-6201013-B1 INOSINE MONOPHOSPHATE DEHYDROGENASE (IMPDH) INHIBITOR; SIDE EFFECT REDUCTION, NON-DRUG RESISTANT AMERICAN HOME PRODUCTS CORPORATION 2001-03-13 — — US disclosed
US-6197803-B1 VIRICIDES; PREVENTION REPRODUCTION AMERICAN HOME PRODUCTS CORPORATION 2001-03-06 — — US disclosed
US-6166028-A Diaminopuridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION (US) 2000-12-26 — — 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 (1 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-20140288106-A1 CYCLOALKANE CARBOXYLIC ACID DERIVATIVES AS CXCR3 RECEPTOR ANTAGONISTS CXCR3, CXCR1, CCR5 ADRB2 623/4885APP 2168/4885PSEN1 3257/4885

“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.

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