SCHEMBL933225

SCHEMBL933225

NCc1ccccc1-c1noc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.50
ESR2 Q92731 7/20 0.50
DPP4 P27487 3/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
LMNA P02545 1/20 0.42
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
MAOB P27338 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA13 Q8N1Q1 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
AOC3 Q16853 2/20 0.41
FFAR4 Q5NUL3 1/20 0.38
PNMT P11086 1/20 0.38

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
Hydrochloric Acid SCHEMBL6710060 0.98 ESR1 (0.49) ESR1ESR2DPP4CA12CA1
SCHEMBL6711049 0.84 ESR1 (0.56) ESR1ESR2CA12CA1CA2
SCHEMBL6711210 0.81 ESR1 (0.49) ESR1ESR2CA12CA1CA2
SCHEMBL2478804 0.79 ESR1 (0.46) ESR1ESR2CA12CA1CA2
SCHEMBL6713974 0.78 ESR1 (0.49) ESR1ESR2CA12CA1CA2
Hydrochloric Acid SCHEMBL6712700 0.78 ESR1 (0.45) ESR1ESR2LMNACYP1A2CYP2D6
Hydrochloric Acid SCHEMBL6710202 0.78 ESR1 (0.45) ESR1ESR2CA12CA1CA2
SCHEMBL2479131 0.75 PKM (0.46) ESR1ESR2CA12CA1CA2
Hydrochloric Acid SCHEMBL8508112 0.75 ESR1 (0.43) ESR1ESR2DPP4CA12CA1
SCHEMBL6712589 0.75 MAPT (0.47) ESR1ESR2LMNACYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637551-B2 2-(1,2-benzisoxazol-3-yl)benzylamine derivatives MERCK SHARP & DOHME B.V. (NL) 2014-01-28 US claimed
EP-2473489-B1 2-(1,2-BENZISOXAZOL-3-YL)BENZYLAMINE DERIVATIVES MERCK SHARP & DOHME (NL) 2013-08-21 EP claimed
US-20130023566-A1 2-(1,2-BENZISOXAZOL-3-YL)BENZYLAMINE DERIVATIVES N.V. ORGANON (NL) 2013-01-24 US claimed
EP-2473489-A1 2-(1,2-BENZISOXAZOL-3-YL)BENZYLAMINE DERIVATIVES MSD Oss B.V. (NL) 2012-07-11 EP claimed
WO-2011003895-A1 2-(1,2-BENZISOXAZOL-3-YL)BENZYLAMINE DERIVATIVES N.V. ORGANON (NL) 2011-01-13 WO claimed
US-20040229910-A1 Therapeutic compounds N.V. ORGANON (NL) 2004-11-18 US claimed
CN-1139580-C Substituted benzylamines and their use for the treatment of depression ��˹��ŵ�� 2004-02-25 CN claimed
EP-0898566-B1 SUBSTITUTED BENZYLAMINES AND THEIR USE FOR THE TREATMENT OF DEPRESSION AKZO NOBEL NV (NL) 2002-11-06 EP claimed
US-20020037885-A1 Therapeutic compounds DIJCKS FREDERICUS ANTONIUS (NL) 2002-03-28 US claimed
US-6080773-A USEFUL FOR TREATMENT OF DEPRESSION, ANXIETY OR PSYCHOSIS AKZO NOBEL, N.V. (NL) 2000-06-27 US claimed
CN-1219169-A Substituted benzylamines and their use for the treatment of depression AKZO NOBEL NV (NL) 1999-06-09 CN claimed
EP-0898566-A1 SUBSTITUTED BENZYLAMINES AND THEIR USE FOR THE TREATMENT OF DEPRESSION Akzo Nobel N.V. (NL) 1999-03-03 EP claimed
WO-1997040027-A1 SUBSTITUTED BENZYLAMINES AND THEIR USE FOR THE TREATMENT OF DEPRESSION AKZO NOBEL N.V. (NL) 1997-10-30 WO claimed
US-8637551-B2 2-(1,2-benzisoxazol-3-yl)benzylamine derivatives MERCK SHARP & DOHME B.V. (NL) 2014-01-28 US disclosed
US-8637551-B2 2-(1,2-benzisoxazol-3-yl)benzylamine derivatives MERCK SHARP & DOHME B.V. (NL) 2014-01-28 US disclosed
US-8637551-B2 2-(1,2-benzisoxazol-3-yl)benzylamine derivatives MERCK SHARP & DOHME B.V. (NL) 2014-01-28 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-20130023566-A1 2-(1,2-BENZISOXAZOL-3-YL)BENZYLAMINE DERIVATIVES CNR2, CNR1, OPRL1 ESR1 2795/4885ESR2 1559/4885DPP4 1439/4885
US-20040229910-A1 Therapeutic compounds BDNF, PNMT, SLC18A2 ESR1 2865/4885ESR2 1589/4885DPP4 469/4885
US-20020037885-A1 Therapeutic compounds BDNF, PNMT, SLC18A2 ESR1 2865/4885ESR2 1589/4885DPP4 469/4885

“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.