SCHEMBL2702173

SCHEMBL2702173

NCC1(c2ccc(F)cc2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.54
CACNA1G O43497 8/20 0.53
OPRL1 P41146 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CCR3 P51677 1/20 0.49
POLB P06746 1/20 0.49
CYP3A4 P08684 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
SIGMAR1 Q99720 2/20 0.47
DRD2 P14416 1/20 0.47
OPRM1 P35372 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
SCHEMBL2470240 0.90 MAOA (0.61) OPRL1MEN1KMT2ACCR3POLB
SCHEMBL17799025 0.85 OPRL1 (0.55) CACNA1GOPRL1MEN1KMT2ACCR3
SCHEMBL4712452 0.84 OPRL1 (0.54) OPRL1MEN1KMT2ACCR3POLB
SCHEMBL16113263 0.82 OPRL1 (0.53) CACNA1GOPRL1MEN1KMT2ACCR3
SCHEMBL2511840 0.82 KMT2A (0.55) CACNA1GOPRL1MEN1KMT2ACCR3
SCHEMBL6110923 0.79 OPRL1 (0.79) OPRL1MEN1KMT2ACCR3POLB
SCHEMBL4657317 0.79 SLC6A3 (0.60) SLC6A3MAOAMAOBTAAR1OPRM1
SCHEMBL2465510 0.78 SLC6A4 (0.61) SLC6A3OPRL1CCR3POLBCYP3A4
SCHEMBL8267914 0.77 SIGMAR1 (0.62) MEN1KMT2APOLBSIGMAR1DRD2
SCHEMBL10253807 0.77 OPRL1 (0.50) SLC6A3OPRL1MEN1KMT2ACCR3

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-2228065-B1 Heterocyclo inhibitors of potassium channel function BRISTOL MYERS SQUIBB CO (US) 2012-12-26 EP disclosed
EP-1501467-B1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL MYERS SQUIBB CO (US) 2012-05-09 EP disclosed
EP-2228065-A2 Heterocyclo inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2010-09-15 EP disclosed
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2009-12-17 US disclosed
US-7582654-B2 Heterocyclo inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-01 US disclosed
US-7005436-B2 Heterocyclo inhibitors of potassium channel function BRISTOL MYERS SQUIBB COMPANY (US) 2006-02-28 US disclosed
US-20060014792-A1 Heterocyclo inhibitors of potassium channel function LLOYD JOHN 2006-01-19 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 (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-20060014792-A1 Heterocyclo inhibitors of potassium channel function KCNJ2, KCNH2, KCNQ5 SLC6A3 3169/4885CACNA1G 53/4885OPRL1 1904/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 SLC6A3 3169/4885CACNA1G 53/4885OPRL1 1904/4885

“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.