SCHEMBL6664757

SCHEMBL6664757

O=C([C@@H]1CCCCN1Cc1ccc(F)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.57
ATM Q13315 2/20 0.57
MEN1 O00255 1/20 0.57
NPSR1 Q6W5P4 4/20 0.57
MAPT P10636 3/20 0.57
LMNA P02545 1/20 0.57
CNR1 P21554 3/20 0.55
CNR2 P34972 3/20 0.55
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 2/20 0.53
HTT P42858 2/20 0.53
CACNA2D1 P54289 1/20 0.52
CACNA1B Q00975 1/20 0.52
CACNB1 Q02641 1/20 0.52
CACNA1C Q13936 1/20 0.52
MCHR1 Q99705 3/20 0.52
DPP8 Q6V1X1 1/20 0.49
DPP7 Q9UHL4 1/20 0.49
CACNA1G O43497 1/20 0.48
HPGD P15428 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
SCHEMBL6664762 1.00 KMT2A (0.57) KMT2AATMMEN1NPSR1MAPT
SCHEMBL6908549 0.96 MAPT (0.54) KMT2AATMMEN1NPSR1MAPT
SCHEMBL6663014 0.96 MAPT (0.54) KMT2AATMMEN1NPSR1MAPT
SCHEMBL6659166 0.95 DPP8 (0.49) KMT2AATMMEN1NPSR1MAPT
SCHEMBL6909802 0.92 NPSR1 (0.62) KMT2AATMNPSR1MAPTLMNA
SCHEMBL6660540 0.92 NPSR1 (0.62) KMT2AATMNPSR1MAPTLMNA
Hydrochloric Acid SCHEMBL6684989 0.87 NPSR1 (0.56) KMT2AATMMEN1NPSR1MAPT
Hydrochloric Acid SCHEMBL6684980 0.87 NPSR1 (0.56) KMT2AATMMEN1NPSR1MAPT
Hydrochloric Acid SCHEMBL6657400 0.86 CACNA2D1 (0.53) KMT2AMEN1NPSR1MAPTLMNA
Hydrochloric Acid SCHEMBL6909269 0.86 MCHR1 (0.58) 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 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 KMT2A 2094/4885ATM 3589/4885MEN1 3736/4885
US-20030191110-A1 Modulators of the cholesterol biosynthetic pathway SREBF2, SREBF1, CYP46A1 KMT2A 2315/4885ATM 3300/4885MEN1 3768/4885

“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.