SCHEMBL17752147

SCHEMBL17752147

CC(=O)N1CCN(c2ccccc2Sc2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.57
HTR3A P46098 11/20 0.57
ALDH1A1 P00352 4/20 0.55
LMNA P02545 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CYP1A2 P05177 4/20 0.49
CYP3A4 P08684 4/20 0.49
CYP2D6 P10635 4/20 0.49
CYP2C9 P11712 4/20 0.49
NCF1 P14598 2/20 0.48
SLC6A9 P48067 2/20 0.46
HTR6 P50406 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL16892741 0.79 HTR1A (0.70) HTR1AHTR3AALDH1A1LMNASMN1; SMN2
SCHEMBL29559927 0.79 HTR1A (0.70) HTR1AHTR3AALDH1A1LMNASMN1; SMN2
SCHEMBL5919531 0.78 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL3428277 0.76 HTR1A (0.70) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL9114338 0.75 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2NCF1HTR6
SCHEMBL20994075 0.75 HTR1A (0.52) HTR1AHTR3AALDH1A1LMNASMN1; SMN2
SCHEMBL3801245 0.74 GAA (0.65) ALDH1A1LMNASMN1; SMN2NCF1RAB9A
SCHEMBL3436305 0.74 ALDH1A1 (0.76) ALDH1A1NCF1
SCHEMBL9565829 0.74 AKR1C3 (0.62) ALDH1A1SMN1; SMN2NCF1RAB9A
SCHEMBL7519963 0.74 CKS1B (0.46) ALDH1A1LMNASMN1; SMN2NCF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9708280-B2 Phenyl-piperazine derivatives as serotonin reuptake inhibitors H. LUNDBECK A/S (DK) 2017-07-18 US disclosed
US-20160137620-A1 Phenyl-Piperazine Derivatives As Serotonin Reuptake Inhibitors H. LUNDBECK A/S (DK) 2016-05-19 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 (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-20160137620-A1 Phenyl-Piperazine Derivatives As Serotonin Reuptake Inhibitors TPH1, HTR5A, HTR2C HTR1A 5/4885HTR3A 9/4885ALDH1A1 191/4885

“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.