SCHEMBL20582183

SCHEMBL20582183

N#CCN(Cc1cc(Cl)ccc1OC(N)=O)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 15/20 0.41
▸ NOS1 P29475 13/20 0.41
▸ NOS3 P29474 8/20 0.41
▸ SLC6A2 P23975 3/20 0.37
▸ SLC6A4 P31645 3/20 0.37
▸ SLC6A3 Q01959 1/20 0.34

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
SCHEMBL20582177 0.76 KDM4E (0.39) SLC6A2SLC6A4SLC6A3
SCHEMBL20729391 0.73 NOS2 (0.40) NOS2NOS1NOS3SLC6A2SLC6A4
SCHEMBL29141804 0.72 MAPT (0.59) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL3854786 0.70 MAPT (0.43) SLC6A2SLC6A4SLC6A3
SCHEMBL29141769 0.69 MAPT (0.42) SLC6A2SLC6A4SLC6A3
SCHEMBL3856445 0.68 NOS2 (0.45) NOS2SLC6A2SLC6A4
SCHEMBL7364590 0.67 MAPT (0.61) SLC6A2SLC6A4SLC6A3
SCHEMBL9510254 0.67 MAPT (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL29728508 0.66 KMT2A (0.42) —
SCHEMBL8861735 0.65 KMT2A (0.57) SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3894414-B1 1-(2,6-DIAZASPIRO[3.3]HEPTAN-6-YL)-5,6-DIHYDRO-4H-BENZO[F][1,2,4]TRIAZOLO[4,3-A][1,4]DIAZEPINE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FOR THE TREATMENT OF NEURO-PSYCHOLOGICAL DISORDERS NEUMORA THERAPEUTICS INC (US) 2024-04-10 — — EP disclosed
US-11858943-B2 Vasopressin receptor antagonists and products and methods related thereto Neumora Therapeutics, Inc. (US) 2024-01-02 — — US disclosed
US-20230093235-A1 VASOPRESSIN RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO Neumora Therapeutics, Inc. 2023-03-23 — — US disclosed
US-20230084719-A1 1-(2,6-DIAZASPIRO[3.3]HEPTAN-6-YL)-5,6-DIHYDRO-4H-BENZO[F][1,2,4]TRIAZOLO[4,3-A][1,4]DIAZEPINE DERIVATIVES AND RELATED COMPOUNDS AS VASOPRESSIN ANTAGONISTS FOR THE TREATMENT OF NEURO-PSYCHOLOGICAL DISORDERS BLACKTHORN THERAPEUTICS, INC. 2023-03-16 — — US 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
US-11186577-B2 Vasopressin receptor antagonists and products and methods related thereto BLACKTHORN THERAPEUTICS, INC. (US) 2021-11-30 — — US disclosed
EP-3894414-A1 1-(2,6-DIAZASPIRO[3.3]HEPTAN-6-YL)-5,6-DIHYDRO-4H-BENZO[F][1,2,4]TRIAZOLO[4,3-A][1,4]DIAZEPINE DERIVATIVES AND RELATED COMPOUNDS AS VASOPRESSIN ANTAGONISTS FOR THE TREATMENT OF NEURO-PSYCHOLOGICAL DISORDERS Blackthorn Therapeutics, Inc. (US) 2021-10-20 — — EP disclosed
WO-2020123872-A1 1-(2,6-DIAZASPIRO[3.3]HEPTAN-6-YL)-5,6-DIHYDRO-4H-BENZO[F][1,2,4]TRIAZOLO[4,3-A][1,4]DIAZEPINE DERIVATIVES AND RELATED COMPOUNDS AS VASOPRESSIN ANTAGONISTS FOR THE TREATMENT OF NEURO-PSYCHOLOGICAL DISORDERS BLACKTHORN THERAPEUTICS, INC. (US) 2020-06-18 — — WO disclosed
EP-3634963-A1 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) 2020-04-15 — — EP disclosed
US-20190048013-A1 VASOPRESSIN RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO Neumora Therapeutics, Inc. 2019-02-14 — — US disclosed
WO-2018226769-A1 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) 2018-12-13 — — 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 (5 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-11186577-B2 Vasopressin receptor antagonists and products and methods related thereto AVPR1B, AVPR1A, AVPR2 NOS2 2420/4885NOS1 1315/4885NOS3 1612/4885
US-20190048013-A1 VASOPRESSIN RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO AVPR1B, AVPR1A, AVPR2 NOS2 2420/4885NOS1 1315/4885NOS3 1612/4885
US-11858943-B2 Vasopressin receptor antagonists and products and methods related thereto AVPR1B, AVPR1A, AVPR2 NOS2 2420/4885NOS1 1315/4885NOS3 1612/4885
US-20230093235-A1 VASOPRESSIN RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO AVPR1B, AVPR1A, AVPR2 NOS2 2420/4885NOS1 1315/4885NOS3 1612/4885
US-20230084719-A1 1-(2,6-DIAZASPIRO[3.3]HEPTAN-6-YL)-5,6-DIHYDRO-4H-BENZO[F][1,2,4]TRIAZOLO[4,3-A][1,4]DIAZEPINE DERIVATIVES AND RELATED COMPOUNDS AS VASOPRESSIN ANTAGONISTS FOR THE TREATMENT OF NEURO-PSYCHOLOGICAL DISORDERS AVPR1B, AVPR1A, AVPR2 NOS2 2607/4885NOS1 1270/4885NOS3 2692/4885

“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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