SCHEMBL351380

SCHEMBL351380

O=C(CN1CCN(c2ccccc2)CC1)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.74
ALDH1A1 P00352 4/20 0.66
MAPT P10636 4/20 0.66
KDM4E B2RXH2 1/20 0.63
HTR1A P08908 2/20 0.58
DRD2 P14416 1/20 0.57
HTR2A P28223 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
KDR P35968 1/20 0.57
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56

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
SCHEMBL27463569 0.89 POLB (0.64) POLBALDH1A1MAPTKDM4EHTR1A
SCHEMBL4875267 0.89 ALDH1A1 (0.79) POLBALDH1A1MAPTKDM4EHTR2A
SCHEMBL19851992 0.87 TSHR (0.64) POLBALDH1A1MAPTHTR1ASMN1; SMN2
SCHEMBL8444585 0.84 POLB (0.63) POLBALDH1A1MAPTKDM4EDRD2
SCHEMBL21044195 0.84 ALDH1A1 (0.72) POLBALDH1A1MAPTHTR2AKDR
SCHEMBL6301694 0.84 MAPT (0.72) POLBALDH1A1MAPTHTR1ASMN1; SMN2
SCHEMBL351997 0.83 HTR1A (0.81) ALDH1A1MAPTHTR1ADRD2HTR2A
SCHEMBL8218392 0.83 HTR1A (0.67) POLBALDH1A1MAPTKDM4EHTR1A
Hydrochloric Acid SCHEMBL1374296 0.82 MAPT (0.70) POLBALDH1A1MAPTKDM4EHTR1A
SCHEMBL9381303 0.82 ALDH1A1 (0.69) POLBALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017157882-A1 SERINE BIOSYNTHETIC PATHWAY INHIBITORS Université Catholique de Louvain (BE) 2017-09-21 WO disclosed
US-20120016124-A1 SEROTONIN REUPTAKE INHIBITORS BAYLOR UNIVERSITY (US) 2012-01-19 US disclosed
US-7893261-B2 bi-functional organic molecules which combine serotonin transporter reuptake inhibition with serotonin (5-HT, such as 5-HT2A) receptor antagonism in one molecular entity BAYLOR UNIVERSITY (US) 2011-02-22 US disclosed
US-20080132514-A1 Serotonin Reuptake Inhibitors BAYLOR UNIVERSITY 2008-06-05 US disclosed
EP-1732610-A2 TARGETED SEROTONIN REUPTAKE INHIBITORS BAYLOR UNIVERSITY (US) 2006-12-20 EP disclosed
WO-2005094896-A2 TARGETED SEROTONIN REUPTAKE INHIBITORS BAYLOR UNIVERSITY (US) 2005-10-13 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 (2 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-20120016124-A1 SEROTONIN REUPTAKE INHIBITORS HTR2A, HTR2C, HTR1A POLB 1176/4885ALDH1A1 969/4885MAPT 2011/4885
US-20080132514-A1 Serotonin Reuptake Inhibitors HTR2A, HTR2C, HTR1A POLB 1176/4885ALDH1A1 969/4885MAPT 2011/4885

“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.