SCHEMBL6678657

SCHEMBL6678657

O=C([C@@H]1CCCN1Cc1ccccc1)N1CCN(Cc2ccc(F)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
FAAH O00519 1/20 0.54
MCHR1 Q99705 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
TSHR P16473 1/20 0.52
SIGMAR1 Q99720 2/20 0.52
ATM Q13315 1/20 0.51

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
SCHEMBL7512290 1.00 KDM4E (0.55) KDM4EFAAHMCHR1MEN1KMT2A
Hydrochloric Acid SCHEMBL7517966 0.86 MCHR1 (0.68) KDM4EMCHR1
Hydrochloric Acid SCHEMBL6680315 0.86 MCHR1 (0.68) KDM4EMCHR1
Hydrochloric Acid SCHEMBL6658225 0.85 MEN1 (0.53) KDM4EMCHR1MEN1KMT2A
Hydrochloric Acid SCHEMBL6662216 0.85 MEN1 (0.53) KDM4EMCHR1MEN1KMT2A
Hydrochloric Acid SCHEMBL6662222 0.85 MEN1 (0.53) KDM4EMCHR1MEN1KMT2A
SCHEMBL6908168 0.84 L3MBTL1 (0.50)
SCHEMBL6659429 0.84 L3MBTL1 (0.50)
SCHEMBL1190538 0.84 MCHR1 (0.63) KDM4EMCHR1MEN1KMT2ATSHR
SCHEMBL7473424 0.84 MCHR1 (0.63) KDM4EMCHR1MEN1KMT2ATSHR

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
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

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 KDM4E 2160/4885FAAH 1908/4885MCHR1 3019/4885
US-20030191110-A1 Modulators of the cholesterol biosynthetic pathway SREBF2, SREBF1, CYP46A1 KDM4E 2346/4885FAAH 3516/4885MCHR1 2349/4885

“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.