SCHEMBL20729392

SCHEMBL20729392

CC(C)(C)OC(=O)Nc1ccc(Cl)cc1CN(CC#N)C1(C)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.39
▸ HSP90AB1 P08238 1/20 0.39
▸ IDO1 P14902 2/20 0.39
▸ KCNQ4 P56696 3/20 0.39
▸ KCNQ5 Q9NR82 3/20 0.39
▸ CTSL P07711 1/20 0.37
▸ ANO1 Q5XXA6 2/20 0.36
▸ PTGER1 P34995 2/20 0.35
▸ DRD2 P14416 4/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ F11 P03951 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ XBP1 P17861 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ HSD17B10 Q99714 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
SCHEMBL20582105 0.85 HTT (0.36) CTSLALDH1A1HPGDHTTNPSR1
SCHEMBL16801989 0.84 KCNQ4 (0.41) HSP90AA1HSP90AB1IDO1KCNQ4KCNQ5
SCHEMBL20729391 0.82 NOS2 (0.40) HSP90AA1HSP90AB1IDO1KCNQ4KCNQ5
SCHEMBL20729355 0.79 KCNQ4 (0.38) HSP90AA1HSP90AB1IDO1KCNQ4KCNQ5
SCHEMBL18104501 0.78 MAPT (0.42) HSP90AA1HSP90AB1IDO1KCNQ4KCNQ5
SCHEMBL20729376 0.76 ANO1 (0.41) HSP90AA1HSP90AB1IDO1ANO1PTGER1
SCHEMBL21734883 0.76 IDO1 (0.44) HSP90AA1HSP90AB1IDO1PTGER1CYP2C9
SCHEMBL16799845 0.75 SLC6A4 (0.43) HSP90AA1HSP90AB1IDO1PTGER1CYP2C9
SCHEMBL31718056 0.75 SLC6A4 (0.43) HSP90AA1HSP90AB1IDO1PTGER1CYP2C9
SCHEMBL1196841 0.75 GAA (0.44) HSP90AA1HSP90AB1IDO1KCNQ4KCNQ5

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
US-12247037-B2 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 Neumora Therapeutics, Inc. (US) 2025-03-11 — — US disclosed
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-11858943-B2 Vasopressin receptor antagonists and products and methods related thereto Neumora Therapeutics, Inc. (US) 2024-01-02 — — US 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
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
US-20190048013-A1 VASOPRESSIN RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO Neumora Therapeutics, Inc. 2019-02-14 — — US 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-11186577-B2 Vasopressin receptor antagonists and products and methods related thereto AVPR1B, AVPR1A, AVPR2 HSP90AA1 2133/4885HSP90AB1 1946/4885IDO1 2720/4885
US-20190048013-A1 VASOPRESSIN RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO AVPR1B, AVPR1A, AVPR2 HSP90AA1 2133/4885HSP90AB1 1946/4885IDO1 2720/4885
US-11858943-B2 Vasopressin receptor antagonists and products and methods related thereto AVPR1B, AVPR1A, AVPR2 HSP90AA1 2133/4885HSP90AB1 1946/4885IDO1 2720/4885
US-12247037-B2 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 HSP90AA1 1302/4885HSP90AB1 928/4885IDO1 1149/4885
US-20230093235-A1 VASOPRESSIN RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO AVPR1B, AVPR1A, AVPR2 HSP90AA1 2133/4885HSP90AB1 1946/4885IDO1 2720/4885
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 HSP90AA1 1754/4885HSP90AB1 1548/4885IDO1 1580/4885

“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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