SCHEMBL577175

SCHEMBL577175

[CH2]c1cccc(CCN)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 10/20 0.57
DRD2 P14416 3/20 0.57
DRD1 P21728 3/20 0.57
HTR2A P28223 2/20 0.52
CYP2A6 P11509 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
LOXL2 Q9Y4K0 1/20 0.52
HTR6 P50406 2/20 0.50
HTR2C P28335 1/20 0.50
NOS1 P29475 1/20 0.47
HTR7 P34969 1/20 0.46
KDM4E B2RXH2 2/20 0.43
ADRA2A P08913 2/20 0.43
MAPT P10636 2/20 0.43
DRD4 P21917 2/20 0.43
DRD5 P21918 2/20 0.43
SLC6A2 P23975 2/20 0.43
MAPK1 P28482 2/20 0.43
DRD3 P35462 2/20 0.43
RECQL P46063 2/20 0.43

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
SCHEMBL659100 0.83 TAAR1 (0.70) TAAR1DRD2DRD1HTR2ACYP2A6
SCHEMBL1533528 0.82 TAAR1 (0.42) TAAR1DRD2DRD1LOXL2HTR6
SCHEMBL233049 0.81
Hydrochloric Acid SCHEMBL3957562 0.80 TAAR1 (0.67) TAAR1DRD2DRD1HTR2ACYP2A6
SCHEMBL27871127 0.79 LOXL2 (0.52) TAAR1SMN1; SMN2LOXL2NOS1PNMT
SCHEMBL393865 0.79 MAOA (0.56) TAAR1HTR2ACYP2A6SMN1; SMN2LOXL2
SCHEMBL9200094 0.78 TAAR1 (0.39) TAAR1DRD2DRD1HTR2AHTR6
SCHEMBL28387254 0.77 TAAR1 (0.57) TAAR1DRD2DRD1HTR2ACYP2A6
SCHEMBL910501 0.77 CNR1 (0.42) TAAR1DRD2DRD1DRD4DRD5
SCHEMBL11455165 0.77 MEN1 (0.35) TAAR1DRD2DRD1NOS1HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115817-A1 PHTHALIMIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY COMPOUNDS AND/OR TNF-ALPHA MODULATORS, METHOD FOR PRODUCING SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USES THEREOF FOR THE TREATMENT OF INFLAMMATORY DISEASES EMS S.A. (BR) 2012-05-10 US claimed
EP-2418200-A1 PHTHALIMIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY COMPOUNDS AND/OR TNF- MODULATORS, METHOD FOR PRODUCING SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USES THEREOF FOR THE TREATMENT OF INFLAMMATORY DISEASES EMS S. A. (BR) 2012-02-15 EP claimed
US-20120115817-A1 PHTHALIMIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY COMPOUNDS AND/OR TNF-ALPHA MODULATORS, METHOD FOR PRODUCING SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USES THEREOF FOR THE TREATMENT OF INFLAMMATORY DISEASES EMS S.A. (BR) 2012-05-10 US disclosed
EP-2418200-A1 PHTHALIMIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY COMPOUNDS AND/OR TNF- MODULATORS, METHOD FOR PRODUCING SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USES THEREOF FOR THE TREATMENT OF INFLAMMATORY DISEASES EMS S. A. (BR) 2012-02-15 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 (1 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-20120115817-A1 PHTHALIMIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY COMPOUNDS AND/OR TNF-ALPHA MODULATORS, METHOD FOR PRODUCING SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USES THEREOF FOR THE TREATMENT OF INFLAMMATORY DISEASES TNF, PER2, CRY1 TAAR1 2640/4885DRD2 2844/4885DRD1 2397/4885

“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.