SCHEMBL6497708

SCHEMBL6497708

CNC1CCc2ccc(Br)cc21

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.58
ACHE P22303 2/20 0.49
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
IDO1 P14902 1/20 0.38
PDE1B Q01064 1/20 0.36
SRD5A1 P18405 1/20 0.36
KDM1A O60341 1/20 0.36

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
SCHEMBL30985322 1.00 PDPK1 (0.58) PDPK1ACHEHTR2AHTR2CHTR2B
SCHEMBL15447552 1.00 PDPK1 (0.58) PDPK1ACHEHTR2AHTR2CHTR2B
SCHEMBL19521127 0.90 PDPK1 (0.46) PDPK1ACHEHTR2AHTR2CHTR2B
SCHEMBL805451 0.86 HTR2A (0.46) PDPK1ACHEHTR2AHTR2CHTR2B
SCHEMBL31137445 0.86 PDPK1 (0.58) PDPK1ACHESRD5A1KDM1A
SCHEMBL1415389 0.86 PDPK1 (0.58) PDPK1ACHESRD5A1KDM1A
SCHEMBL30850198 0.86 PDPK1 (0.58) PDPK1ACHESRD5A1KDM1A
SCHEMBL23138723 0.80 PDPK1 (0.59) PDPK1ACHEHTR2CHTR2BMAOA
SCHEMBL13853630 0.79 MAOA (0.63) PDPK1ACHEMAOAMAOB
SCHEMBL22547382 0.79 PDPK1 (0.58) PDPK1ACHEHTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050075332-A1 Tricyclic compounds with antiviral activity WARNER LAMBERT COMPANY 2005-04-07 US claimed
US-6800656-B2 Tricyclic compounds and method of treating herpes virus WARNER LAMBERT COMPANY 2004-10-05 US claimed
US-20030229073-A1 Tricyclic compounds and method of treating herpes virus BOOTH RICHARD JOHN (US) 2003-12-11 US claimed
EP-1248777-A2 TRICYCLIC COMPOUNDS WITH ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 2002-10-16 EP claimed
WO-2001051479-A2 TRICYCLIC COMPOUNDS WITH ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 2001-07-19 WO claimed
US-12162820-B2 Peripheral alkyl and alkenyl chains extended benzene derivatives and pharmaceutical composition including the same TAIWANJ PHARMACEUTICALS CO., LTD. (TW) 2024-12-10 US disclosed
CN-118420523-A Pyridine derivative and application thereof in medicine 成都百裕制药股份有限公司 2024-08-02 CN disclosed
CN-113660932-B Phenyl derivatives having pendant alkyl and alkenyl extensions and pharmaceutical compositions comprising the same 景凯生物科技股份有限公司 2024-07-12 CN disclosed
US-20220153687-A1 PERIPHERAL ALKYL AND ALKENYL CHAINS EXTENDED BENZENE DERIVATIVES AND PHARMACEUTICAL COMPOSITION INCLUDING THE SAME TAIWANJ PHARMACEUTICALS CO., LTD. (TW) 2022-05-19 US disclosed
US-20220153687-A1 PERIPHERAL ALKYL AND ALKENYL CHAINS EXTENDED BENZENE DERIVATIVES AND PHARMACEUTICAL COMPOSITION INCLUDING THE SAME TAIWANJ PHARMACEUTICALS CO., LTD. (TW) 2022-05-19 US disclosed
CN-113660932-A Phenyl derivatives with pendant alkyl and alkenyl extensions and pharmaceutical compositions comprising the same 景凯生物科技股份有限公司 2021-11-16 CN disclosed
WO-2020205455-A1 PERIPHERAL ALKYL AND ALKENYL CHAINS EXTENDED BENZENE DERIVATIVES AND PHARMACEUTICAL COMPOSITION INCLUDING THE SAME TAIWANJ PHARMACEUTICALS, CO., LTD. (TW) 2020-10-08 WO disclosed
US-20200157088-A1 BENZENE FUSED HETEROCYCLIC COMPOUND AND USE THEREOF TAIWANJ PHARMACEUTICALS CO., LTD. (TW) 2020-05-21 US disclosed
US-6919335-B2 Administering a therapeutically effective amount of a heterocyclic compound to the patient for the treatment of inosine monophosphate dehydrogenase associated disorders, such as allograft rejection BRISTOL-MYERS SQUIBB CO. (US) 2005-07-19 US disclosed
US-20050075332-A1 Tricyclic compounds with antiviral activity WARNER LAMBERT COMPANY 2005-04-07 US disclosed
US-6800656-B2 Tricyclic compounds and method of treating herpes virus WARNER LAMBERT COMPANY 2004-10-05 US disclosed
US-20030229073-A1 Tricyclic compounds and method of treating herpes virus BOOTH RICHARD JOHN (US) 2003-12-11 US disclosed
EP-1248777-A2 TRICYCLIC COMPOUNDS WITH ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 2002-10-16 EP disclosed
US-20020040022-A1 Heterocycles that are inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY 2002-04-04 US disclosed
WO-2001051479-A2 TRICYCLIC COMPOUNDS WITH ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 2001-07-19 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 (6 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-20020040022-A1 Heterocycles that are inhibitors of IMPDH enzyme XDH, IMPDH1, IMPDH2 PDPK1 3092/4885ACHE 2116/4885HTR2A 3852/4885
US-20030229073-A1 Tricyclic compounds and method of treating herpes virus HDAC8, ZC3HAV1, ZCCHC8 PDPK1 4772/4885ACHE 1631/4885HTR2A 1813/4885
US-20220153687-A1 PERIPHERAL ALKYL AND ALKENYL CHAINS EXTENDED BENZENE DERIVATIVES AND PHARMACEUTICAL COMPOSITION INCLUDING THE SAME AADAC, ENPP2, ATXN10 PDPK1 2947/4885ACHE 618/4885HTR2A 1065/4885
US-20050075332-A1 Tricyclic compounds with antiviral activity HDAC8, CDK8, ZC3HAV1 PDPK1 4772/4885ACHE 3316/4885HTR2A 2688/4885
US-20200157088-A1 BENZENE FUSED HETEROCYCLIC COMPOUND AND USE THEREOF NR2C2, NR0B2, NR0B1 PDPK1 4626/4885ACHE 4186/4885HTR2A 151/4885
US-12162820-B2 Peripheral alkyl and alkenyl chains extended benzene derivatives and pharmaceutical composition including the same AADAC, ENPP2, ATXN10 PDPK1 2947/4885ACHE 618/4885HTR2A 1065/4885

“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.