SCHEMBL2861620

SCHEMBL2861620

O=C(NC(Cc1ccccc1)C1CCCCC1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 5/20 0.51
CCR1 P32246 1/20 0.48
ALDH1A1 P00352 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
EPHX2 P34913 1/20 0.47
ACE P12821 2/20 0.46
ACE2 Q9BYF1 2/20 0.46
MME P08473 1/20 0.46
CPA1 P15085 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PIN1 Q13526 1/20 0.46
CTSV O60911 1/20 0.46
CTSL P07711 1/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46

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
SCHEMBL2853485 0.91 NPC1 (0.51) ALDH1A1NPC1RAB9A
SCHEMBL5462314 0.88 NPC1 (0.56) NPC1RAB9AEPHX2CTSVCTSL
SCHEMBL6168123 0.85 P2RX7 (0.50) CCR1ALDH1A1NPC1RAB9ACTSV
SCHEMBL5453401 0.85 ACKR3 (0.46) ALDH1A1PIN1CTSL
SCHEMBL2857688 0.85 MEN1 (0.66) ALDH1A1NPC1RAB9ACTSLCTSS
SCHEMBL2859751 0.85 ACKR3 (0.49) ALDH1A1PIN1
SCHEMBL2867569 0.84 MEN1 (0.54) ALDH1A1
SCHEMBL2877086 0.83 EPHX2 (0.61) ALDH1A1NPC1RAB9AEPHX2ACE
SCHEMBL2861403 0.83 L3MBTL1 (0.49) ALDH1A1NPC1RAB9AEPHX2ACE
SCHEMBL8179465 0.82 MAPT (0.50) CCR1ALDH1A1NPC1RAB9ACTSV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2253328-A1 Cycloalkyl inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2010-11-24 EP disclosed
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2007-06-21 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-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNN3, KCNQ5 CTRB1 4455/4885CCR1 4361/4885ALDH1A1 4075/4885

“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.