SCHEMBL5758330

SCHEMBL5758330

Clc1ccnc(N2CCNCC2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 1/20 0.59
▸ ALDH1A1 P00352 3/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ HTR3E A5X5Y0 1/20 0.53
▸ HTR3B O95264 1/20 0.53
▸ HTR3A P46098 1/20 0.53
▸ HTR3D Q70Z44 1/20 0.53
▸ HTR3C Q8WXA8 1/20 0.53
▸ ACHE P22303 3/20 0.50
▸ HRH3 Q9Y5N1 1/20 0.47
▸ ROCK2 O75116 2/20 0.47
▸ ROCK1 Q13464 1/20 0.47
▸ PANK3 Q9H999 1/20 0.47
▸ BPTF Q12830 1/20 0.46
▸ HRH1 P35367 1/20 0.46
▸ HTR2C P28335 3/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ HTR1A P08908 1/20 0.45

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 SCHEMBL4815955 0.98 ALDH1A1 (0.59) ADRB1ALDH1A1KDM4EHTR3EHTR3B
SCHEMBL22576020 0.83 PANK3 (0.47) ADRB1ALDH1A1KDM4EACHEPANK3
SCHEMBL31008978 0.83 PANK3 (0.47) ADRB1ALDH1A1KDM4EACHEPANK3
SCHEMBL3509457 0.83 ALDH1A1 (0.47) ADRB1ALDH1A1ACHEPANK3CYP1A2
SCHEMBL2088418 0.81 ALDH1A1 (0.46) ALDH1A1ACHEPANK3MEN1CYP1A2
SCHEMBL15887424 0.80 PANK3 (0.48) ADRB1ACHEPANK3MEN1KMT2A
SCHEMBL11113633 0.80 ADRB1 (0.61) ADRB1ALDH1A1KDM4EACHEHRH3
SCHEMBL7604060 0.79 ADRB1 (0.64) ADRB1ALDH1A1KDM4EACHEHRH3
SCHEMBL573580 0.79 ADRB1 (0.59) ADRB1ALDH1A1KDM4EACHEHRH3
SCHEMBL5797268 0.79 ADRB1 (0.59) ADRB1ALDH1A1KDM4EACHEHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114478359-B Carbamate TRPV1 antagonism/FAAH inhibition double-target drug, and preparation method and application thereof 河南大学 2023-09-29 — — CN disclosed
US-RE49582-E1 Therapeutic compounds and compositions AGIOS PHARMACEUTICALS, INC. (US) 2023-07-18 — — US disclosed
US-RE49582-E1 Therapeutic compounds and compositions AGIOS PHARMACEUTICALS, INC. (US) 2023-07-18 — — US disclosed
CN-114478359-A Carbamate TRPV1 antagonistic/FAAH inhibition double-target medicine and preparation method and application thereof 河南大学 2022-05-13 — — CN disclosed
US-20210395239-A1 HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2021-12-23 — — US disclosed
EP-3856737-A1 HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2021-08-04 — — EP disclosed
US-10988448-B2 Therapeutic compounds and compositions AGIOS PHARMACEUTICALS, INC. (US) 2021-04-27 — — US disclosed
EP-3708169-A1 2,3-DIHYDROBENZO[B][1,4]DIOXINE-6-SULFONAMIDE DERIVATIVES HAVING AN ANTICANCER ACTIVITY Agios Pharmaceuticals, Inc. (US) 2020-09-16 — — EP disclosed
WO-2020064792-A1 HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2020-04-02 — — WO disclosed
EP-3575294-A1 5-[(PIPERAZIN-1-YL)-3-OXO-PROPYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AS ADAMTS INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS Les Laboratoires Servier (FR) 2019-12-04 — — EP disclosed
US-20100331307-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC. 2010-12-30 — — US disclosed
CN-100448875-C Substituted 1-piperazinoylpiperidine derivatives, their preparation and therapeutic use SANOFI AVENTIS (FR) 2009-01-07 — — CN disclosed
EP-1513835-B1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2006-08-16 — — EP disclosed
CN-1675203-A Substituted 1-piperazinoylpiperidine derivatives, their preparation and therapeutic use SANOFI AVENTIS (FR) 2005-09-28 — — CN disclosed
EP-1513835-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2005-03-16 — — EP disclosed
WO-2003104225-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2003-12-18 — — WO disclosed
US-5977106-A 3,5-dioxo-(2H,4H)-1,2,4-triazine derivatives PIERRE FABRE MEDICAMENT (FR) 1999-11-02 — — US disclosed
EP-0794949-B1 NOVEL 3,5-DIOXO-(2H,4H)-1,2,4-TRIAZINE DERIVATIVES, THEIR PREPARATION AND USE AS DRUGS PF MEDICAMENT (FR) 1998-07-29 — — EP disclosed
EP-0794949-A1 NOVEL 3,5-DIOXO-(2H,4H)-1,2,4-TRIAZINE DERIVATIVES, THEIR PREPARATION AND USE AS DRUGS PIERRE FABRE MEDICAMENT (FR) 1997-09-17 — — EP disclosed
WO-1996016949-A1 NOVEL 3,5-DIOXO-(2H,4H)-1,2,4-TRIAZINE DERIVATIVES, THEIR PREPARATION AND USE AS DRUGS PIERRE FABRE MEDICAMENT (FR) 1996-06-06 — — 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 (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-20210395239-A1 HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE SSB, HLA-DRB1, UACA ADRB1 2951/4885ALDH1A1 833/4885KDM4E 1106/4885
US-10988448-B2 Therapeutic compounds and compositions PDK1, PDK2, PDK3 ADRB1 1379/4885ALDH1A1 1326/4885KDM4E 766/4885
US-20100331307-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS PDK1, PDK2, PDK3 ADRB1 1379/4885ALDH1A1 1326/4885KDM4E 766/4885

“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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