SCHEMBL7330731

SCHEMBL7330731

CSc1ccc(C(C)N)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.59
MAOA P21397 1/20 0.54
SLC6A2 P23975 1/20 0.54
SLC6A3 Q01959 1/20 0.54
ADRB2 P07550 1/20 0.52
PDE2A O00408 1/20 0.42
AKR1C3 P42330 3/20 0.40
AKR1C2 P52895 3/20 0.40
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
ACACB O00763 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
Hydrochloric Acid SCHEMBL31502313 0.98 SLC6A4 (0.57) SLC6A4MAOASLC6A2SLC6A3ADRB2
Hydrochloric Acid SCHEMBL7628639 0.98 SLC6A4 (0.57) SLC6A4MAOASLC6A2SLC6A3ADRB2
Hydrochloric Acid SCHEMBL31502318 0.98 SLC6A4 (0.57) SLC6A4MAOASLC6A2SLC6A3ADRB2
SCHEMBL27230147 0.88 ACACB (0.55) SLC6A4MAOASLC6A2SLC6A3ADRB2
SCHEMBL27207792 0.88 ACACB (0.55) SLC6A4MAOASLC6A2SLC6A3ADRB2
SCHEMBL10408711 0.82 ADRB2 (0.54) SLC6A4MAOASLC6A2SLC6A3ADRB2
SCHEMBL1314596 0.81 ADRB2 (0.72) ADRB2PDE2A
SCHEMBL4861453 0.79 SLC6A4 (0.53) SLC6A4MAOASLC6A2SLC6A3ADRB2
SCHEMBL4556108 0.79 SLC6A4 (0.52) SLC6A4MAOASLC6A2SLC6A3AKR1C3
SCHEMBL19382926 0.78 SLC6A4 (0.57) SLC6A4MAOASLC6A2SLC6A3AKR1C3

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-20170291885-A1 METHOD FOR PREPARING ENAMIDE COMPOUND AND RUTHENIUM COMPLEX CATALYST USED THEREIN POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2017-10-12 US disclosed
EP-2888242-B1 SUBSTITUTED 4-PYRIDONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2016-07-13 EP disclosed
US-9346794-B1 Substituted 4-pyridones and their use as inhibitors of neutrophil elastase activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-24 US disclosed
US-20160130265-A1 SUBSTITUTED 4-PYRIDONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2016-05-12 US disclosed
US-20140057926-A1 SUBSTITUTED 4-PYRIDONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-27 US disclosed
US-8008487-B2 Substituted thieno[2,3-D]pyrimidines as fungicides DOW AGROSCIENCES LLC (US) 2011-08-30 US disclosed
US-8008487-B2 Substituted thieno[2,3-D]pyrimidines as fungicides DOW AGROSCIENCES LLC (US) 2011-08-30 US disclosed
US-5280025-A Aralkylaminopyrimidine derivative, and chemical for controlling noxious organisms containing the same UBE INDUSTRIES, LTD. (JP) 1994-01-18 US disclosed
EP-0543402-A1 Aralkylaminopyrimidine derivative, method for preparing the same and chemical for controlling noxious organisms containing the same UBE INDUSTRIES, LTD. (JP) 1993-05-26 EP disclosed
EP-0443560-A2 HIV protease inhibitors BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1991-08-28 EP disclosed
EP-0424125-A2 Aralkylamine derivatives, preparation method thereof and fungicides containing the same UBE INDUSTRIES, LTD. (JP) 1991-04-24 EP 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-20140057926-A1 SUBSTITUTED 4-PYRIDONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY SERPINB1, ELANE, SERPINB6 SLC6A4 3279/4885MAOA 332/4885SLC6A2 4018/4885
US-20160130265-A1 SUBSTITUTED 4-PYRIDONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY SERPINB1, ELANE, SERPINB6 SLC6A4 3279/4885MAOA 332/4885SLC6A2 4018/4885
US-20170291885-A1 METHOD FOR PREPARING ENAMIDE COMPOUND AND RUTHENIUM COMPLEX CATALYST USED THEREIN ENY2, ENO1, IDH1 SLC6A4 3783/4885MAOA 601/4885SLC6A2 2378/4885

“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.