SCHEMBL951484

SCHEMBL951484

Fc1ccc([C@@H]2CCNC[C@H]2COCc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK2 P25098 4/20 0.51
CYP3A4 P08684 4/20 0.47
SLC6A4 P31645 3/20 0.47
TP53 P04637 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
TACR1 P25103 2/20 0.47
SLC6A2 P23975 2/20 0.47
HTR6 P50406 2/20 0.47
SCN5A Q14524 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP2C9 P11712 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NPC1 O15118 1/20 0.47
CACNA1F O60840 1/20 0.47
MPO P05164 1/20 0.47
ADRB2 P07550 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
ABCB1 P08183 1/20 0.47

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
SCHEMBL4660474 1.00 GRK2 (0.51) GRK2CYP3A4SLC6A4TP53CYP1A2
Hydrochloric Acid SCHEMBL951614 0.99 GRK2 (0.53) GRK2CYP3A4SLC6A4TP53CYP1A2
Hydrochloric Acid SCHEMBL4659077 0.99 GRK2 (0.53) GRK2CYP3A4SLC6A4TP53CYP1A2
SCHEMBL12602253 0.90 GRK2 (0.53) GRK2CYP3A4SLC6A4TP53CYP1A2
SCHEMBL951542 0.90 GRK2 (0.53) GRK2CYP3A4SLC6A4TP53CYP1A2
SCHEMBL4659087 0.90 GRK2 (0.53) GRK2CYP3A4SLC6A4TP53CYP1A2
Hydrochloric Acid SCHEMBL951179 0.89 GRK2 (0.55) GRK2CYP3A4SLC6A4TP53CYP1A2
Hydrochloric Acid SCHEMBL4659105 0.89 GRK2 (0.55) GRK2CYP3A4SLC6A4TP53CYP1A2
SCHEMBL951533 0.83 TACR1 (0.52) CYP3A4SLC6A4TP53CYP1A2CYP2D6
SCHEMBL951535 0.83 TACR1 (0.52) CYP3A4SLC6A4TP53CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004605-B1 PIPERIDINE DERIVATIVES USEFUL AS SEROTONIN TRANSPORTER INHIBITORS AND NEUROKININ-1 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2011-06-29 EP claimed
US-20110105561-A1 SEROTONIN TRANSPORTER (SERT) INHIBITORS FOR THE TREATMENT OF DEPRESSION AND ANXIETY GRUNDSCHOBER CHRISTOPHE 2011-05-05 US claimed
US-20070232652-A1 Serotonin transporter (sert) inhibitors for the treatment of depression and anxiety HOFFMAN-LA ROCHE INC. 2007-10-04 US claimed
US-8580821-B2 Serotonin transporter (SERT) inhibitors for the treatment of depression and anxiety HOFFMANN-LA ROCHE INC. (US) 2013-11-12 US disclosed
US-8580821-B2 Serotonin transporter (SERT) inhibitors for the treatment of depression and anxiety HOFFMANN-LA ROCHE INC. (US) 2013-11-12 US disclosed
US-8580821-B2 Serotonin transporter (SERT) inhibitors for the treatment of depression and anxiety HOFFMANN-LA ROCHE INC. (US) 2013-11-12 US disclosed
EP-2004605-B1 PIPERIDINE DERIVATIVES USEFUL AS SEROTONIN TRANSPORTER INHIBITORS AND NEUROKININ-1 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2011-06-29 EP disclosed
EP-2004605-B1 PIPERIDINE DERIVATIVES USEFUL AS SEROTONIN TRANSPORTER INHIBITORS AND NEUROKININ-1 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2011-06-29 EP disclosed
US-20110105561-A1 SEROTONIN TRANSPORTER (SERT) INHIBITORS FOR THE TREATMENT OF DEPRESSION AND ANXIETY GRUNDSCHOBER CHRISTOPHE 2011-05-05 US disclosed
US-20110105561-A1 SEROTONIN TRANSPORTER (SERT) INHIBITORS FOR THE TREATMENT OF DEPRESSION AND ANXIETY GRUNDSCHOBER CHRISTOPHE 2011-05-05 US disclosed
US-20110105561-A1 SEROTONIN TRANSPORTER (SERT) INHIBITORS FOR THE TREATMENT OF DEPRESSION AND ANXIETY GRUNDSCHOBER CHRISTOPHE 2011-05-05 US disclosed
US-7872022-B2 Serotonin transporter (SERT) inhibitors for the treatment of depression and anxiety HOFFMANN-LA ROCHE INC. (US) 2011-01-18 US disclosed
US-7872022-B2 Serotonin transporter (SERT) inhibitors for the treatment of depression and anxiety HOFFMANN-LA ROCHE INC. (US) 2011-01-18 US disclosed
US-7872022-B2 Serotonin transporter (SERT) inhibitors for the treatment of depression and anxiety HOFFMANN-LA ROCHE INC. (US) 2011-01-18 US disclosed
WO-2007113153-A1 PIPERIDINE DERIVATIVES USEFUL AS SEROTONIN TRANSPORTER INHIBITORS AND NEUROKININ-1 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-10-11 WO disclosed
US-20070232652-A1 Serotonin transporter (sert) inhibitors for the treatment of depression and anxiety HOFFMAN-LA ROCHE INC. 2007-10-04 US disclosed
US-20070232652-A1 Serotonin transporter (sert) inhibitors for the treatment of depression and anxiety HOFFMAN-LA ROCHE INC. 2007-10-04 US disclosed
US-20070232652-A1 Serotonin transporter (sert) inhibitors for the treatment of depression and anxiety HOFFMAN-LA ROCHE INC. 2007-10-04 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-20110105561-A1 SEROTONIN TRANSPORTER (SERT) INHIBITORS FOR THE TREATMENT OF DEPRESSION AND ANXIETY SLC6A4, SLC6A1, SLC1A2 GRK2 512/4885CYP3A4 806/4885SLC6A4 1/4885
US-20070232652-A1 Serotonin transporter (sert) inhibitors for the treatment of depression and anxiety SLC6A4, SLC6A1, SLC1A2 GRK2 512/4885CYP3A4 806/4885SLC6A4 1/4885

“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.