SCHEMBL5006701

SCHEMBL5006701

NNC(=O)C1CCN(c2ccccn2)CC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 2/20 0.58
GPR119 Q8TDV5 1/20 0.52
RIPK1 Q13546 1/20 0.52
F10 P00742 1/20 0.51
TSHR P16473 1/20 0.50
KDM4E B2RXH2 8/20 0.49
TP53 P04637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 7/20 0.49
NPSR1 Q6W5P4 1/20 0.48
AVPR1A P37288 1/20 0.48
HSD17B10 Q99714 3/20 0.48
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL30435392 0.89 MALT1 (0.56) MALT1GPR119RIPK1F10TSHR
SCHEMBL10154340 0.86 MALT1 (0.58) MALT1GPR119RIPK1F10TSHR
SCHEMBL21061582 0.85 GRM1 (0.48) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL29500844 0.85 GRM1 (0.48) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL30722454 0.84 KDM4E (0.57) MALT1GPR119RIPK1KDM4EALDH1A1
SCHEMBL18124121 0.84 KDM4E (0.57) MALT1GPR119RIPK1KDM4EALDH1A1
SCHEMBL27722977 0.83 RIPK1 (0.61) MALT1GPR119RIPK1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL29426707 0.82 KDM4E (0.56) MALT1GPR119RIPK1KDM4EALDH1A1
SCHEMBL5005725 0.82 KDM4E (0.55) MALT1GPR119RIPK1F10TSHR
SCHEMBL2274636 0.82 KDM4E (0.66) MALT1GPR119RIPK1KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858943-B2 Vasopressin receptor antagonists and products and methods related thereto Neumora Therapeutics, Inc. (US) 2024-01-02 US disclosed
CN-111479813-B Triazolobenzazepines as vasopressin V1A receptor antagonists 吉瑞工厂 2023-03-21 CN disclosed
EP-3634963-B1 1-(2-AZASPIRO[3.3]HEPTAN-6-YL)-5,6-DIHYDRO-4H-BENZO[F][1,2,4]TRIAZOLO[4,3-A][1,4]DIAZEPINE DERIVATIVES AS V1A RECEPTOR ANTAGONISTS FOR TREATING NEUROPSYCHOLOGICAL DISORDERS BLACKTHORN THERAPEUTICS INC (US) 2023-02-22 EP disclosed
EP-3724192-B1 TRIAZOLOBENZAZEPINES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS RICHTER GEDEON NYRT (HU) 2022-08-03 EP disclosed
US-11298363-B2 Triazolobenzazepines as vasopressin V1a receptor antagonists RICHTER GEDEON NYRT. (HU) 2022-04-12 US disclosed
US-11186577-B2 Vasopressin receptor antagonists and products and methods related thereto BLACKTHORN THERAPEUTICS, INC. (US) 2021-11-30 US disclosed
EP-3724192-A1 TRIAZOLOBENZAZEPINES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS Richter Gedeon Nyrt. (HU) 2020-10-21 EP disclosed
CN-111479813-A Triazolobenzazepines as vasopressin V1A receptor antagonists 吉瑞工厂 2020-07-31 CN disclosed
WO-2019116324-A1 TRIAZOLOBENZAZEPINES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2019-06-20 WO disclosed
US-20190048013-A1 VASOPRESSIN RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO Neumora Therapeutics, Inc. 2019-02-14 US disclosed
WO-2005079808-A1 TRIAZOLE DERIVATIVES WHICH INHIBIT VASOPRESSIN ANTAGONISTIC ACTIVITY PFIZER LIMITED (GB) 2005-09-01 WO disclosed
EP-1558598-A1 TRIAZOLE COMPOUNDS FOR THE TREATMENT OF DYSMENORRHOEA Pfizer Limited (GB) 2005-08-03 EP disclosed
US-20050049255-A1 Therapeutic combinations PFIZER INC 2005-03-03 US disclosed
WO-2004108138-A1 THERAPEUTIC COMBINATIONS COMPRISING PDE INHIBITORS AND VASOPRESSIN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF DYSMENORRHOEA PFIZER LIMITED (GB) 2004-12-16 WO disclosed
WO-2004108138-A1 THERAPEUTIC COMBINATIONS COMPRISING PDE INHIBITORS AND VASOPRESSIN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF DYSMENORRHOEA PFIZER LIMITED (GB) 2004-12-16 WO disclosed
US-20040186091-A1 A bi-heterocycle-4H-2,3,5,10b-tetraaza-benzo[e]azulene derivatives; for therapy of dysmenorrhoea, anxiety disorder, asthma, atherosclerosis, cardiac failure, cardiovascular disease, cataract, central nervous system disease, motion sickness, Raynaud's disease, rheumatoid arthritis; chemical synthesis PFIZER INC 2004-09-23 US disclosed
WO-2004074291-A1 TRIAZOLE COMPOUNDS USEFUL IN THERAPY PFIZER LIMITED (GB) 2004-09-02 WO disclosed
WO-2004074291-A1 TRIAZOLE COMPOUNDS USEFUL IN THERAPY PFIZER LIMITED (GB) 2004-09-02 WO disclosed
US-20040162278-A1 Triazole compounds useful in therapy PFIZER INC 2004-08-19 US disclosed
WO-2004037809-A1 TRIAZOLE COMPOUNDS FOR THE TREATMENT OF DYSMENORRHOEA PFIZER LIMITED (GB) 2004-05-06 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 (7 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-20040162278-A1 Triazole compounds useful in therapy AVPR2, AVPR1B, AVPR1A MALT1 2524/4885GPR119 284/4885RIPK1 4321/4885
US-11298363-B2 Triazolobenzazepines as vasopressin V1a receptor antagonists AVPR1B, AVPR1A, AVPR2 MALT1 2199/4885GPR119 116/4885RIPK1 3014/4885
US-11186577-B2 Vasopressin receptor antagonists and products and methods related thereto AVPR1B, AVPR1A, AVPR2 MALT1 3973/4885GPR119 152/4885RIPK1 4377/4885
US-20190048013-A1 VASOPRESSIN RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO AVPR1B, AVPR1A, AVPR2 MALT1 3973/4885GPR119 152/4885RIPK1 4377/4885
US-11858943-B2 Vasopressin receptor antagonists and products and methods related thereto AVPR1B, AVPR1A, AVPR2 MALT1 3973/4885GPR119 152/4885RIPK1 4377/4885
US-20050049255-A1 Therapeutic combinations AVPR2, AVPR1B, AVPR1A MALT1 4542/4885GPR119 536/4885RIPK1 4784/4885
US-20040186091-A1 A bi-heterocycle-4H-2,3,5,10b-tetraaza-benzo[e]azulene derivatives; for therapy of dysmenorrhoea, anxiety disorder, asthma, atherosclerosis, cardiac failure, cardiovascular disease, cataract, central nervous system disease, motion sickness, Raynaud's disease, rheumatoid arthritis; chemical synthesis CNR1, NR1H2, OXER1 MALT1 98/4885GPR119 1673/4885RIPK1 4308/4885

“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.