SCHEMBL6922044

SCHEMBL6922044

OCC1CCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.43
PTPN1 P18031 1/20 0.39
CHRM3 P20309 5/20 0.38
CHRM2 P08172 4/20 0.38
CHRM1 P11229 4/20 0.38
LRRK2 Q5S007 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP2D6 P10635 2/20 0.37
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
SLC18A3 Q16572 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
HRH1 P35367 1/20 0.36
SCN1A P35498 1/20 0.36
KMT2A Q03164 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36

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
SCHEMBL6926803 0.88 MMP3 (0.46) LTA4HCHRM3CHRM2CHRM1ATM
SCHEMBL6929764 0.82 CHRM3 (0.50) CHRM3CHRM2CHRM1
SCHEMBL462769 0.82 CHRM3 (0.38) CHRM3CHRM2CHRM1ATML3MBTL1
SCHEMBL6928717 0.81 FFAR4 (0.44) CHRM3CHRM2CHRM1HRH1
SCHEMBL7959117 0.81 MAOA (0.36) CHRM3CHRM2CHRM1ATML3MBTL1
SCHEMBL6924076 0.81 CHRM2 (0.50) CHRM3CHRM2CHRM1
SCHEMBL5743595 0.79 KCNA3 (0.46) CHRM3CHRM2CHRM1ATML3MBTL1
SCHEMBL13460034 0.79 AKR1C3 (0.48) CHRM3CHRM2CHRM1
SCHEMBL11232996 0.78 SLC18A3 (0.37) CHRM3CHRM2CHRM1CYP2D6SLC18A3
SCHEMBL6929521 0.78 CHRM1 (0.46) CHRM3CHRM2CHRM1SLC18A3HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030232860-A1 Medicine comprising dicyanopyridine derivative ASTELLAS PHARMA INC. (JP) 2003-12-18 US disclosed
CN-1441783-A Drug containing dicyanopyridine derivative YAMANOUCHI PHARMA CO LTD (JP) 2003-09-10 CN disclosed
EP-1302463-A1 MEDICINE COMPRISING DICYANOPYRIDINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-04-16 EP disclosed
US-6518265-B1 1H-imidazopyridine derivatives HOKURIKU SEIYAKU CO., LTD. (JP) 2003-02-11 US disclosed
EP-1104764-A1 1H-IMIDAZOPYRIDINE DERIVATIVES HOKURIKU SEIYAKU CO., LTD. (JP) 2001-06-06 EP disclosed
US-4357337-A PIPERIDINYLALKYL DERIVATIVES PHARMINDUSTRIE (FR) 1982-11-02 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-20030232860-A1 Medicine comprising dicyanopyridine derivative KCNN3, KCNN2, KCNN1 LTA4H 2859/4885PTPN1 4772/4885CHRM3 170/4885

“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.