SCHEMBL351932

SCHEMBL351932

COc1ccccc1N1CCN(CC(Oc2ccc(F)cc2)c2ccccc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.69
MAPK1 P28482 1/20 0.58
LMNA P02545 2/20 0.56
ALDH1A1 P00352 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MAPT P10636 1/20 0.56
NLRP1 Q9C000 1/20 0.56
KDM4E B2RXH2 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
ALOX15 P16050 1/20 0.53
HSD17B10 Q99714 1/20 0.53

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
SCHEMBL9036477 0.93 HTR1A (0.71) HTR1AALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL10021758 0.91 HTR1A (0.69) HTR1AALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL10052763 0.89 HTR1A (0.81) HTR1AALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL10021790 0.89 HTR1A (0.88) HTR1ALMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL9036378 0.84 HTR1A (0.62) HTR1AALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL10021749 0.83 HTR1A (0.48) HTR1A
SCHEMBL1206920 0.83 HTR1A (0.64) HTR1AALDH1A1MAPTKDM4E
SCHEMBL348989 0.82 HTR1A (0.53) HTR1AALDH1A1MAPT
SCHEMBL10021791 0.80 HTR1A (0.88) HTR1A
SCHEMBL10021746 0.79 HTR1A (0.62) HTR1AALDH1A1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120016124-A1 SEROTONIN REUPTAKE INHIBITORS BAYLOR UNIVERSITY (US) 2012-01-19 US 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-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-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
US-20080132514-A1 Serotonin Reuptake Inhibitors BAYLOR UNIVERSITY 2008-06-05 US disclosed
US-20080132514-A1 Serotonin Reuptake Inhibitors BAYLOR UNIVERSITY 2008-06-05 US 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 HTR1A 3/4885MAPK1 4228/4885LMNA 4352/4885
US-20080132514-A1 Serotonin Reuptake Inhibitors HTR2A, HTR2C, HTR1A HTR1A 3/4885MAPK1 4228/4885LMNA 4352/4885

“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.