SCHEMBL6658178

SCHEMBL6658178

Fc1ccc(N2CCNCC2Cc2ccccc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 13/20 0.81
SLC6A3 Q01959 13/20 0.81
SLC6A2 P23975 12/20 0.81
CYP2D6 P10635 2/20 0.59
MITF O75030 1/20 0.46
DPP4 P27487 3/20 0.45
DPP7 Q9UHL4 1/20 0.45
ADRB1 P08588 1/20 0.43

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
SCHEMBL2951055 0.90 SLC6A4 (1.00) SLC6A4SLC6A3SLC6A2CYP2D6MITF
SCHEMBL588656 0.86 SLC6A4 (0.81) SLC6A4SLC6A3SLC6A2CYP2D6MITF
SCHEMBL588544 0.86 SLC6A4 (0.81) SLC6A4SLC6A3SLC6A2CYP2D6MITF
SCHEMBL5543652 0.86 SLC6A4 (0.81) SLC6A4SLC6A3SLC6A2CYP2D6MITF
Hydrochloric Acid SCHEMBL588157 0.85 SLC6A4 (0.79) SLC6A4SLC6A3SLC6A2CYP2D6MITF
Hydrochloric Acid SCHEMBL588156 0.85 SLC6A4 (0.79) SLC6A4SLC6A3SLC6A2CYP2D6MITF
SCHEMBL2952322 0.85 SLC6A4 (0.79) SLC6A4SLC6A3SLC6A2CYP2D6MITF
SCHEMBL2952327 0.83 SLC6A4 (1.00) SLC6A4SLC6A3SLC6A2CYP2D6MITF
SCHEMBL2943412 0.83 SLC6A4 (0.75) SLC6A4SLC6A3SLC6A2CYP2D6ADRB1
SCHEMBL2950159 0.81 SLC6A4 (0.72) SLC6A4SLC6A3SLC6A2CYP2D6MITF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1257544-B1 PIPERAZINE AND PIPERIDINE DERIVATIVES FOR TREATMENT OR PREVENTION OF NEURONAL DAMAGE VERTEX PHARMA (US) 2012-07-25 EP disclosed
EP-1441728-A2 MODULATORS OF THE CHOLESTEROL BIOSYNTHETIC PATHWAY Vertex Pharmaceuticals Incorporated (US) 2004-08-04 EP disclosed
US-20040034019-A1 Piperazine and piperidine derivatives VERTEX PHARMACEUTICALS INCORPORATED 2004-02-19 US disclosed
US-20030191110-A1 Modulators of the cholesterol biosynthetic pathway VERTEX PHARMACEUTICALS, INCORPORATED 2003-10-09 US disclosed
WO-2003037338-A2 MODULATORS OF THE CHOLESTEROL BIOSYNTHETIC PATHWAY VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-05-08 WO disclosed
EP-1257544-A2 PIPERAZINE AND PIPERIDINE DERIVATIVES FOR TREATMENT OR PREVENTION OF NEURONAL DAMAGE Vertex Pharmaceuticals Incorporated (US) 2002-11-20 EP disclosed
WO-2001058891-A2 PIPERAZINE AND PIPERIDINE DERIVATIVES FOR TREATMENT OR PREVENTION OF NEURONAL DAMAGE VERTEX PHARMACEUTICALS INCORPORATED (US) 2001-08-16 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-20040034019-A1 Piperazine and piperidine derivatives GAP43, BDNF, NGF SLC6A4 2317/4885SLC6A3 1625/4885SLC6A2 2016/4885
US-20030191110-A1 Modulators of the cholesterol biosynthetic pathway SREBF2, SREBF1, CYP46A1 SLC6A4 3719/4885SLC6A3 4243/4885SLC6A2 3438/4885

“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.