SCHEMBL20582107

SCHEMBL20582107

COCCNCc1cc(Cl)ccc1OC(N)=O

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.57
▸ MAPT P10636 2/20 0.51
▸ THRB P10828 1/20 0.51
▸ KDM4E B2RXH2 5/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ HPGD P15428 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ SLC6A2 P23975 4/20 0.42
▸ SLC6A4 P31645 4/20 0.42
▸ SLC6A3 Q01959 4/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ KCNH2 Q12809 1/20 0.40
▸ EPHX2 P34913 1/20 0.40

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
SCHEMBL8147674 0.76 HTT (0.72) HTTMAPTTHRBKDM4EALDH1A1
SCHEMBL20582079 0.75 HTT (0.58) HTTMAPTTHRBKDM4EALDH1A1
SCHEMBL29141804 0.74 MAPT (0.59) HTTMAPTSLC6A2SLC6A4SLC6A3
SCHEMBL3854487 0.73 IDO1 (0.45) HTTMAPTKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL3854786 0.73 MAPT (0.43) MAPTSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL29141769 0.72 MAPT (0.42) MAPTCYP1A2HPGDLMNASLC6A2
SCHEMBL20582177 0.72 KDM4E (0.39) MAPTTHRBKDM4EALDH1A1HPGD
SCHEMBL12115136 0.71 HTT (0.64) HTTMAPTTHRBKDM4EALDH1A1
SCHEMBL29177417 0.71 MEN1 (0.50) MAPTKDM4EALDH1A1HPGDLMNA
SCHEMBL20729382 0.71 HTT (0.52) HTTMAPTTHRBKDM4EALDH1A1

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 HTT 2176/4885MAPT 2563/4885THRB 116/4885
US-20190048013-A1 VASOPRESSIN RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO AVPR1B, AVPR1A, AVPR2 HTT 2176/4885MAPT 2563/4885THRB 116/4885
US-11858943-B2 Vasopressin receptor antagonists and products and methods related thereto AVPR1B, AVPR1A, AVPR2 HTT 2176/4885MAPT 2563/4885THRB 116/4885
US-20230093235-A1 VASOPRESSIN RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO AVPR1B, AVPR1A, AVPR2 HTT 2176/4885MAPT 2563/4885THRB 116/4885
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 HTT 566/4885MAPT 1809/4885THRB 150/4885

“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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