SCHEMBL6712641

SCHEMBL6712641

O=Cc1ccccc1-c1noc2cc(F)ccc12

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.44
ESR2 Q92731 10/20 0.44
PTPN1 P18031 1/20 0.38
HSP90AA1 P07900 1/20 0.38
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
ACHE P22303 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL6716752 0.89 PTPN1 (0.44) ESR1ESR2PTPN1KDM4EMEN1
SCHEMBL6711117 0.83 ESR1 (0.44) ESR1ESR2PTPN1HSP90AA1KDM4E
SCHEMBL933527 0.83 ESR1 (0.44) ESR1ESR2PTPN1HSP90AA1ACHE
SCHEMBL6712887 0.83 ESR1 (0.47) ESR1ESR2PTPN1HSP90AA1KDM4E
SCHEMBL6712825 0.83 ESR1 (0.50) ESR1ESR2PTPN1HSP90AA1KDM4E
SCHEMBL26982067 0.83 ESR1 (0.44) ESR1ESR2HSP90AA1KDM4EMEN1
SCHEMBL7561119 0.82 EPHX2 (0.45) ESR1ESR2HSP90AA1NPC1RAB9A
SCHEMBL6711107 0.82 ESR1 (0.50) ESR1ESR2PTPN1HSP90AA1MEN1
SCHEMBL933957 0.80 ESR1 (0.45) ESR1ESR2HSP90AA1KDM4EMEN1
SCHEMBL6712729 0.80 ALDH1A1 (0.40) ESR1ESR2PTPN1HSP90AA1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240190854-A1 PYRIMIDINE OR PYRIDINE DERIVATIVES USEFUL AS HCN2 MODULATORS KING'S COLLEGE LONDON (GB) 2024-06-13 US disclosed
EP-4301745-A1 PYRIMIDINE OR PYRIDINE DERIVATES USEFUL AS HCN2 MODULATORS King's College London (GB) 2024-01-10 EP disclosed
WO-2022185055-A1 PYRIMIDINE OR PYRIDINE DERIVATES USEFUL AS HCN2 MODULATORS KING'S COLLEGE LONDON (GB) 2022-09-09 WO disclosed
US-20040229910-A1 Therapeutic compounds N.V. ORGANON (NL) 2004-11-18 US disclosed
CN-1139580-C Substituted benzylamines and their use for the treatment of depression ��˹��ŵ�� 2004-02-25 CN disclosed
EP-0898566-B1 SUBSTITUTED BENZYLAMINES AND THEIR USE FOR THE TREATMENT OF DEPRESSION AKZO NOBEL NV (NL) 2002-11-06 EP disclosed
US-20020037885-A1 Therapeutic compounds DIJCKS FREDERICUS ANTONIUS (NL) 2002-03-28 US disclosed
US-6313139-B1 ADMINISTERING BENZYLAMINE DERIVATIVE FOR THERAPY OF PSYCHIATRIC DISORDER IN MAMMALS AKZO NOBEL N. V. (NL) 2001-11-06 US disclosed
US-6080773-A USEFUL FOR TREATMENT OF DEPRESSION, ANXIETY OR PSYCHOSIS AKZO NOBEL, N.V. (NL) 2000-06-27 US disclosed
CN-1219169-A Substituted benzylamines and their use for the treatment of depression AKZO NOBEL NV (NL) 1999-06-09 CN disclosed
EP-0898566-A1 SUBSTITUTED BENZYLAMINES AND THEIR USE FOR THE TREATMENT OF DEPRESSION Akzo Nobel N.V. (NL) 1999-03-03 EP disclosed
WO-1997040027-A1 SUBSTITUTED BENZYLAMINES AND THEIR USE FOR THE TREATMENT OF DEPRESSION AKZO NOBEL N.V. (NL) 1997-10-30 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 (3 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-20240190854-A1 PYRIMIDINE OR PYRIDINE DERIVATIVES USEFUL AS HCN2 MODULATORS HCN2, HCN1, HCN3 ESR1 4698/4885ESR2 2847/4885PTPN1 1653/4885
US-20040229910-A1 Therapeutic compounds BDNF, PNMT, SLC18A2 ESR1 2865/4885ESR2 1589/4885PTPN1 4861/4885
US-20020037885-A1 Therapeutic compounds BDNF, PNMT, SLC18A2 ESR1 2865/4885ESR2 1589/4885PTPN1 4861/4885

“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.