SCHEMBL2472276

SCHEMBL2472276

O=C(C#Cc1ccccc1)N1CCC(Cc2ccccc2)(C(=O)NCc2ccc(F)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GPR183 P32249 9/20 0.47
▸ ALDH1A1 P00352 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ RAB9A P51151 2/20 0.43
▸ OPRL1 P41146 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ METAP2 P50579 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL2523817 0.85 OPRL1 (0.53) GPR183ALDH1A1TSHRTP53RAB9A
SCHEMBL13594292 0.83 PRKAA2 (0.49) ALDH1A1TSHRTP53RAB9ANPC1
SCHEMBL2472090 0.83 PRKAA2 (0.52) ALDH1A1TSHRTP53RAB9ANPC1
SCHEMBL2471130 0.81 GFER (0.55) GPR183ALDH1A1TSHRTP53RAB9A
SCHEMBL2703160 0.81 AR (0.49) GPR183RAB9AOPRL1NPC1MEN1
SCHEMBL2468562 0.80 MEN1 (0.46) GPR183ALDH1A1TP53RAB9APOLB
SCHEMBL2465494 0.78 TP53 (0.52) ALDH1A1TSHRTP53OPRL1SMN1; SMN2
SCHEMBL2471749 0.77 ALDH1A1 (0.61) ALDH1A1TP53POLBMEN1KMT2A
SCHEMBL2471606 0.77 MEN1 (0.54) GPR183ALDH1A1TSHRRAB9APOLB
SCHEMBL2173199 0.76 ATM (0.52) ALDH1A1TSHRRAB9AOPRL1NPC1

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 11 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-1501467-B1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL MYERS SQUIBB CO (US) 2012-05-09 — — EP disclosed
EP-2371366-A1 Heterocyclo inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2011-10-05 — — 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-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-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 GPR183 3741/4885ALDH1A1 3941/4885TSHR 2555/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 GPR183 3741/4885ALDH1A1 3941/4885TSHR 2555/4885

“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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