SCHEMBL6909802

SCHEMBL6909802

O=C(C1CCCCN1Cc1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.62
MAPT P10636 3/20 0.62
LMNA P02545 1/20 0.62
CNR1 P21554 4/20 0.60
CNR2 P34972 4/20 0.60
MCHR1 Q99705 3/20 0.59
ALDH1A1 P00352 2/20 0.57
KDM4E B2RXH2 2/20 0.55
HTT P42858 2/20 0.55
ATM Q13315 1/20 0.53
KMT2A Q03164 2/20 0.52
HPGD P15428 1/20 0.52
NPBWR1 P48145 2/20 0.48
CACNA1H O95180 1/20 0.48
CACNA2D1 P54289 1/20 0.48
CACNA1B Q00975 1/20 0.48
CACNB1 Q02641 1/20 0.48
CACNA1C Q13936 1/20 0.48

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
SCHEMBL6660540 1.00 NPSR1 (0.62) NPSR1MAPTLMNACNR1CNR2
SCHEMBL6664762 0.92 KMT2A (0.57) NPSR1MAPTLMNACNR1CNR2
SCHEMBL6663014 0.92 MAPT (0.54) NPSR1MAPTLMNACNR1CNR2
SCHEMBL6908549 0.92 MAPT (0.54) NPSR1MAPTLMNACNR1CNR2
SCHEMBL6664757 0.92 KMT2A (0.57) NPSR1MAPTLMNACNR1CNR2
Hydrochloric Acid SCHEMBL7516208 0.89 MCHR1 (0.58) NPSR1MAPTLMNACNR1CNR2
Hydrochloric Acid SCHEMBL6909269 0.89 MCHR1 (0.58) NPSR1MAPTLMNACNR1CNR2
Hydrochloric Acid SCHEMBL6657400 0.89 CACNA2D1 (0.53) NPSR1MAPTLMNACNR1CNR2
SCHEMBL6682276 0.87 NPSR1 (0.64) NPSR1MAPTLMNACNR1CNR2
SCHEMBL6676904 0.87 NPSR1 (0.64) NPSR1MAPTLMNACNR1CNR2

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 5 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
CN-1210274-C Piperazine and piperidine derivatives VERTEX PHARMA (US) 2005-07-13 CN 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
CN-1404477-A Piperazine and piperidine derivatives VERTEX PHARMA (US) 2003-03-19 CN 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 NPSR1 438/4885MAPT 1161/4885LMNA 2715/4885
US-20030191110-A1 Modulators of the cholesterol biosynthetic pathway SREBF2, SREBF1, CYP46A1 NPSR1 2884/4885MAPT 4111/4885LMNA 3377/4885

“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.