SCHEMBL19862547

SCHEMBL19862547

Cc1cccc(CCCC(C)C)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
CCR1 P32246 1/20 0.39
CCR8 P51685 1/20 0.39
HSD17B3 P37058 1/20 0.38
CXCR4 P61073 1/20 0.36
NOS2 P35228 3/20 0.36
NOS3 P29474 2/20 0.36
TGFBR1 P36897 1/20 0.36
NOS1 P29475 2/20 0.35
CCNK O75909 1/20 0.35
CDK12 Q9NYV4 1/20 0.35
KDM1A O60341 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
MEN1 O00255 1/20 0.34
OPRM1 P35372 1/20 0.34

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
SCHEMBL11991705 0.89 NOS2 (0.44) KCNH2SMN1; SMN2CCR1CCR8HSD17B3
SCHEMBL15787752 0.86 KCNH2 (0.42) KCNH2SMN1; SMN2CCR1CCR8HSD17B3
SCHEMBL22893620 0.80 KCNH2 (0.38) KCNH2SMN1; SMN2CCR1CCR8HSD17B3
SCHEMBL19862536 0.80 KCNH2 (0.43) KCNH2NOS2NOS3NOS1GPR84
SCHEMBL24916774 0.80 CCR1 (0.52) KCNH2SMN1; SMN2CCR1CCR8HSD17B3
SCHEMBL30201993 0.80 CCR1 (0.52) KCNH2SMN1; SMN2CCR1CCR8HSD17B3
SCHEMBL681574 0.79 KCNH2 (0.64) KCNH2SMN1; SMN2CCR1CCR8HSD17B3
SCHEMBL10144469 0.78 KCNH2 (0.54) KCNH2SMN1; SMN2CCR1CCR8HSD17B3
SCHEMBL14834641 0.77 KCNH2 (0.47) KCNH2SMN1; SMN2CCR1CCR8HSD17B3
SCHEMBL4314841 0.77 KCNH2 (0.47) KCNH2SMN1; SMN2CCR1CCR8HSD17B3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3436446-B1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2023-06-07 EP disclosed
US-20180044343-A1 BICYCLIC IMIDAZOLO DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2018-02-15 US disclosed
US-20180044343-A1 BICYCLIC IMIDAZOLO DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2018-02-15 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-20180044343-A1 BICYCLIC IMIDAZOLO DERIVATIVE PDE3A, PDE2A, PDE5A KCNH2 2435/4885SMN1; SMN2 2225/4885CCR1 2536/4885

“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.