SCHEMBL4004258

SCHEMBL4004258

CC1NCCc2[nH]cnc21

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.56
LMNA P02545 1/20 0.53
ALDH1A1 P00352 1/20 0.53
POLB P06746 1/20 0.53
MAOA P21397 4/20 0.33
DRD2 P14416 2/20 0.33
TSHR P16473 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP2C9 P11712 1/20 0.33
DRD3 P35462 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
DRD4 P21917 1/20 0.33

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 SCHEMBL7529821 0.98 RAB9A (0.54) RAB9ALMNAALDH1A1POLBMAOA
Hydrochloric Acid SCHEMBL1978418 0.75 RAB9A (0.50) RAB9ALMNAALDH1A1POLB
Hydrochloric Acid SCHEMBL11516807 0.75 RAB9A (0.50) RAB9ALMNAALDH1A1POLB
SCHEMBL4762153 0.73 RAB9A (0.51) RAB9ALMNAALDH1A1POLB
SCHEMBL3441643 0.72 RAB9A (1.00) RAB9ALMNAALDH1A1POLBDRD2
Hydrochloric Acid SCHEMBL16038162 0.72 RAB9A (0.50) RAB9ALMNAALDH1A1POLB
SCHEMBL8992633 0.71 ALDH1A1 (0.50) RAB9ALMNAALDH1A1POLBKDM4E
Hydrochloric Acid SCHEMBL7526788 0.70 RAB9A (0.97) RAB9ALMNAALDH1A1POLBDRD2
SCHEMBL9582051 0.70 RAB9A (0.49) RAB9ALMNAALDH1A1POLBTSHR
SCHEMBL4357488 0.70 RAB9A (0.74) RAB9ALMNAALDH1A1POLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12247027-B2 P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2025-03-11 US disclosed
CN-115260180-B Triazole condensed ring derivative, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2024-05-28 CN disclosed
US-20240116930-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-04-11 US disclosed
US-11820770-B2 P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
CN-115260180-A Triazole fused ring containing derivative, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2022-11-01 CN disclosed
US-20220213095-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2022-07-07 US disclosed
US-11186572-B2 Bacterial glutaminyl cyclases and inhibitors thereof for use in the treatment of periodontitis FRAUNHOFER-GESELLSCHAFT ZUR FORDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) 2021-11-30 US disclosed
EP-3548613-B1 BACTERIAL GLUTAMINYL CYCLASE INHIBITORS AND USE THEREOF IN THE TREATMENT OF PERIODONTITIS FRAUNHOFER GES FORSCHUNG (DE) 2021-01-27 EP disclosed
US-10112937-B2 P2X7 modulators and methods of use JANSSEN PHARMACEUTICA NV (BE) 2018-10-30 US disclosed
US-20160039809-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-02-11 US disclosed
US-8258129-B2 4-heterocycloalkylpyri(mi)dines, process for the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-04 US disclosed
US-8258129-B2 4-heterocycloalkylpyri(mi)dines, process for the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-04 US disclosed
US-8258129-B2 4-heterocycloalkylpyri(mi)dines, process for the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-04 US disclosed
US-20090203673-A1 4-HETEROCYCLOALKYLPYRI(MI)DINES, PROCESS FOR THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-13 US disclosed
US-20090203673-A1 4-HETEROCYCLOALKYLPYRI(MI)DINES, PROCESS FOR THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-13 US disclosed
US-20090203673-A1 4-HETEROCYCLOALKYLPYRI(MI)DINES, PROCESS FOR THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-13 US disclosed
EP-2041132-A2 NEW COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2009-04-01 EP disclosed
WO-2008003766-A2 4-HETER0CYCL0ALKYLPYRI(MI)DINES, PROCESS FOR THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-01-10 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 (8 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-12247027-B2 P2X7 modulators P2RX2, P2RX7, P2RY2 RAB9A 3242/4885LMNA 2272/4885ALDH1A1 1628/4885
US-11186572-B2 Bacterial glutaminyl cyclases and inhibitors thereof for use in the treatment of periodontitis GMPS, QPCT, GLS RAB9A 533/4885LMNA 2144/4885ALDH1A1 2706/4885
US-10112937-B2 P2X7 modulators and methods of use P2RX2, P2RX7, P2RX5 RAB9A 3323/4885LMNA 2030/4885ALDH1A1 1385/4885
US-20160039809-A1 P2X7 MODULATORS P2RX2, P2RX7, P2RX5 RAB9A 3305/4885LMNA 2157/4885ALDH1A1 1381/4885
US-11820770-B2 P2X7 modulators P2RX2, P2RX7, P2RY2 RAB9A 3242/4885LMNA 2272/4885ALDH1A1 1628/4885
US-20220213095-A1 P2X7 MODULATORS P2RX2, P2RX7, P2RY2 RAB9A 3242/4885LMNA 2272/4885ALDH1A1 1628/4885
US-20090203673-A1 4-HETEROCYCLOALKYLPYRI(MI)DINES, PROCESS FOR THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS CCNI, MKI67, CCNA1 RAB9A 2108/4885LMNA 731/4885ALDH1A1 293/4885
US-20240116930-A1 P2X7 MODULATORS P2RX2, P2RX7, P2RY2 RAB9A 3242/4885LMNA 2272/4885ALDH1A1 1628/4885

“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.