SCHEMBL16785538

SCHEMBL16785538

O=C(Nc1cccnc1)N1CCCCNc2ccc(-c3cccc(C(F)(F)F)c3)nc21

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 9/20 0.49
▸ HTR2C P28335 9/20 0.49
▸ KIT P10721 1/20 0.44
▸ FAAH O00519 2/20 0.43
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ HTR2B P41595 3/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ PHGDH O43175 1/20 0.41
▸ PIKFYVE Q9Y2I7 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40

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
SCHEMBL16775824 0.97 HTR2A (0.50) HTR2AHTR2CKITFAAHMEN1
SCHEMBL16775841 0.92 CA2 (0.41) HTR2AHTR2CKITMEN1KMT2A
SCHEMBL16776358 0.92 HTR2C (0.48) HTR2AHTR2CKITMEN1KMT2A
SCHEMBL16776476 0.91 CA2 (0.43) HTR2AHTR2CKITMEN1KMT2A
SCHEMBL16785651 0.90 CA2 (0.39) HTR2AHTR2CKITMEN1KMT2A
SCHEMBL16775829 0.90 CA2 (0.41) HTR2AHTR2CKITMEN1KMT2A
SCHEMBL16776322 0.90 NPC1 (0.44) KITMEN1KMT2AMAPTCA2
SCHEMBL16776130 0.89 HTR2C (0.48) HTR2AHTR2CKITFAAHMEN1
SCHEMBL16776146 0.88 HTR2C (0.48) HTR2AHTR2C
SCHEMBL16775833 0.88 ALOX15 (0.46) KITFAAHMEN1KMT2ACYP3A4

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 1 patent. 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

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 HTR2A 4386/4885HTR2C 4651/4885KIT 2844/4885

“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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