SCHEMBL5352479

SCHEMBL5352479

O=C(NCCc1ccc(Cl)cc1)C1(c2cccc(F)c2)CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.50
PSEN2 P49810 1/20 0.50
APH1B Q8WW43 1/20 0.50
NCSTN Q92542 1/20 0.50
APH1A Q96BI3 1/20 0.50
PSENEN Q9NZ42 1/20 0.50
TRPV1 Q8NER1 1/20 0.49
CNR1 P21554 2/20 0.49
TP53 P04637 2/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
THRB P10828 1/20 0.47
OPRL1 P41146 1/20 0.47
EPHX1 P07099 2/20 0.46
EPHX2 P34913 1/20 0.46
P2RX7 Q99572 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HDAC4 P56524 1/20 0.44
ERCC1 P07992 1/20 0.44

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
SCHEMBL2855010 0.88 TRPV1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5349607 0.86 HDAC4 (0.55) CNR1HTTSMN1; SMN2EPHX1HDAC4
SCHEMBL5350234 0.86 SMN1; SMN2 (0.64) CNR1HTTSMN1; SMN2EPHX1EPHX2
SCHEMBL5351676 0.84 HDAC4 (0.61) CNR1HTTSMN1; SMN2EPHX1EPHX2
SCHEMBL14491547 0.83 SMN1; SMN2 (0.52) TRPV1HTTSMN1; SMN2OPRL1EPHX1
SCHEMBL5352499 0.83 TRPV1 (0.47) TRPV1CNR1TP53HTTSMN1; SMN2
SCHEMBL5356509 0.82 SMN1; SMN2 (0.50) TRPV1CNR1TP53HTTSMN1; SMN2
SCHEMBL5352614 0.80 HDAC4 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2867652 0.80 ERCC1 (0.57) TRPV1TP53HTTSMN1; SMN2THRB
SCHEMBL5363274 0.79 HDAC4 (0.55) CNR1HTTSMN1; SMN2EPHX1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2007-06-21 US disclosed
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2007-06-21 US disclosed
US-7202253-B2 Cycloalkyl inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-10 US disclosed
US-7202253-B2 Cycloalkyl inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-10 US disclosed
US-7202253-B2 Cycloalkyl inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-10 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 PSEN1 891/4885PSEN2 1360/4885APH1B 1660/4885

“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.