SCHEMBL5951576

SCHEMBL5951576

CC1CN(c2ccccc2N(c2ccccc2Sc2ccc(Cl)cc2)N2CCNC(C)C2)CCN1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 15/20 0.48
HTR3A P46098 15/20 0.48
CYP1A2 P05177 7/20 0.48
CYP3A4 P08684 7/20 0.48
CYP2D6 P10635 7/20 0.48
CYP2C9 P11712 7/20 0.48
SLC6A9 P48067 1/20 0.37
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
SLC6A4 P31645 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL546962 0.84 HTR1A (0.67) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL546620 0.73 HTR1A (0.60) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL14387771 0.68 HTR1A (0.43) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL5335772 0.68 HTR1A (0.43) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL5335072 0.68 HTR1A (0.43) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL5571143 0.68 SLC6A9 (0.61) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL5571148 0.68 SLC6A9 (0.61) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL6873426 0.67 HTR1A (0.48) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL547068 0.67 HTR1A (1.00) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL1203357 0.64 HTR3E (0.56) HTR3AMAPK13MAPK12MAPK11MAPK14

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-7138407-B2 Phenyl-piperazine derivatives as serotonin reuptake inhibitors H. LUNDBECK A/S (DK) 2006-11-21 US disclosed
US-20060084662-A1 Phenyl-piperazine derivatives as serotonin reuptake inhibitors H. LUNDBECK A/S (DK) 2006-04-20 US disclosed
EP-1436271-A1 PHENYL-PIPERAZINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS H. Lundbeck A/S (DK) 2004-07-14 EP disclosed
WO-2003029232-A1 PHENYL-PIPERAZINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS H. LUNDBECK A/S (DK) 2003-04-10 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 (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-20060084662-A1 Phenyl-piperazine derivatives as serotonin reuptake inhibitors TPH1, HTR5A, HTR2C HTR1A 5/4885HTR3A 9/4885CYP1A2 309/4885

“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.