SCHEMBL4038012

SCHEMBL4038012

O=C(CC1(c2ccccc2)CCN(C(=O)c2ccc(F)cc2F)CC1)NCCc1ccccc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
KDM4E B2RXH2 3/20 0.41
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
RIPK1 Q13546 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPK10 P53779 2/20 0.39
TAAR1 Q96RJ0 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PKM P14618 1/20 0.38
MAPK8 P45983 1/20 0.38
DPP4 P27487 1/20 0.38
MAPT P10636 1/20 0.38
CYP46A1 Q9Y6A2 1/20 0.37
CNR1 P21554 1/20 0.37

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
SCHEMBL2474044 0.91 CNR1 (0.41) HTR2AHTR2CKDM4EALDH1A1LMNA
SCHEMBL2473653 0.88 KMT2A (0.47) KDM4EDRD3ALDH1A1RIPK1NPC1
SCHEMBL2465687 0.87 HPGD (0.46) HTR2AHTR2CKDM4EALDH1A1LMNA
SCHEMBL14327417 0.83 KMT2A (0.53) KDM4EALDH1A1RAB9ATAAR1HSD17B10
SCHEMBL2467016 0.82 LTA4H (0.43) KDM4EALDH1A1LMNATAAR1
SCHEMBL2469517 0.81 TAAR1 (0.47) KDM4EALDH1A1TAAR1
SCHEMBL2472016 0.80 KMT2A (0.47) KDM4EALDH1A1NPC1TAAR1
SCHEMBL2468007 0.79 MCHR1 (0.45) KDM4EALDH1A1HTTNPC1RAB9A
SCHEMBL2469492 0.77 TAAR1 (0.45) KDM4EALDH1A1HTTNPC1RAB9A
SCHEMBL4028623 0.77 KMT2A (0.60) KDM4EDRD3ALDH1A1NPC1RAB9A

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
US-7582654-B2 Heterocyclo inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-01 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 (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-20060014792-A1 Heterocyclo inhibitors of potassium channel function KCNJ2, KCNH2, KCNQ5 HTR2A 2801/4885HTR2C 3194/4885KDM4E 485/4885

“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.