SCHEMBL16775840

SCHEMBL16775840

Cc1cnccc1NC(=O)N1CCCCNc2ccc(-c3cccc(C(F)(F)F)c3)nc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIKFYVE Q9Y2I7 2/20 0.37
▸ DHODH Q02127 1/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ NPY5R Q15761 1/20 0.36
▸ MC4R P32245 1/20 0.36
▸ CPT2 P23786 1/20 0.36
▸ CPT1A P50416 1/20 0.36
▸ CPT1B Q92523 1/20 0.36
▸ FYN P06241 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ IL2 P60568 1/20 0.36
▸ FGFR4 P22455 1/20 0.36
▸ KMO O15229 1/20 0.36
▸ MGLL Q99685 1/20 0.36
▸ RAF1 P04049 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35

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
SCHEMBL16775828 0.98 PIKFYVE (0.37) PIKFYVEDHODHADORA2ANPY5RMC4R
SCHEMBL16775848 0.91 CPT2 (0.37) PIKFYVEMC4RCPT2CPT1ACPT1B
SCHEMBL16775822 0.89 TRPV1 (0.37) PIKFYVEMC4RCPT2CPT1ACPT1B
SCHEMBL16775901 0.88 TRPV1 (0.36) NPY5RMC4RCPT2CPT1ACPT1B
SCHEMBL16775869 0.87 TRPV1 (0.42) TRPV1KIT
SCHEMBL16776476 0.87 CA2 (0.43) CPT2CPT1ACPT1BFYNCA2
SCHEMBL16785538 0.86 HTR2A (0.49) PIKFYVECA2CA9HTR2AHTR2C
SCHEMBL16775833 0.85 ALOX15 (0.46) CPT2CPT1ACPT1BFYNCA2
SCHEMBL16775841 0.85 CA2 (0.41) DHODHCPT2CPT1ACPT1BFYN
SCHEMBL16775845 0.85 TRPV1 (0.39) DHODHADORA2ACPT2CPT1ACPT1B

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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 PIKFYVE 2207/4885DHODH 975/4885ADORA2A 2325/4885

“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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