SCHEMBL2703160

SCHEMBL2703160

O=C(C#Cc1ccccc1)N1CCC(Cc2ccccc2)(C(=O)O)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.49
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ GRM5 P41594 3/20 0.45
▸ GPR183 P32249 9/20 0.43
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ AGTR1 P30556 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ PAX8 Q06710 1/20 0.38
▸ TLR9 Q9NR96 1/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ OPRL1 P41146 1/20 0.38
▸ AVPR1A P37288 1/20 0.38

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
SCHEMBL3485621 0.81 AVPR1A (0.44) MEN1KMT2ALMNANPC1RAB9A
SCHEMBL2472276 0.81 GPR183 (0.47) MEN1KMT2AGPR183NPC1RAB9A
SCHEMBL2468562 0.79 MEN1 (0.46) ARMEN1KMT2AGPR183LMNA
SCHEMBL2700969 0.79 CYP2D6 (0.58) MEN1KMT2ALMNAOPRM1OPRL1
SCHEMBL2701618 0.78 KMT2A (0.56) ARMEN1KMT2AGRM5GPR183
SCHEMBL2702369 0.77 L3MBTL1 (0.54) MEN1KMT2ALMNAHTT
SCHEMBL2702729 0.77 CHRM2 (0.59) MEN1KMT2AAVPR1A
SCHEMBL19823672 0.76 AR (0.61) ARGRM5GPR183NPC1
SCHEMBL923461 0.75 MAOA (0.48) LMNAHTT
SCHEMBL2702754 0.75 NPC1 (0.63) MEN1KMT2ANPC1

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 AR 4552/4885MEN1 3501/4885KMT2A 957/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 AR 4552/4885MEN1 3501/4885KMT2A 957/4885

“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.

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