SCHEMBL5823709

SCHEMBL5823709

c1nc2c(c(Nc3ccc(N4CCCCCC4)cc3)n1)CCNC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.43
TTBK1 Q5TCY1 1/20 0.42
TTBK2 Q6IQ55 1/20 0.42
BRD4 O60885 1/20 0.42
TRPV1 Q8NER1 7/20 0.41
HTR2A P28223 3/20 0.40
HTR2C P28335 3/20 0.40
HTR2B P41595 2/20 0.40
MAPK1 P28482 3/20 0.40
ABL1 P00519 1/20 0.40
NTRK1 P04629 1/20 0.40
YES1 P07947 1/20 0.40
PIM1 P11309 1/20 0.40
KDR P35968 1/20 0.40
HIPK1 Q86Z02 1/20 0.40
IGF1R P08069 1/20 0.39
MAPT P10636 3/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL4871886 0.80 HTR2A (0.47) TTBK1TTBK2TRPV1HTR2AHTR2C
SCHEMBL4868221 0.79 HTR2A (0.48) TTBK1TTBK2TRPV1HTR2AHTR2C
SCHEMBL4728478 0.77 TRPV1 (0.52) TRPV1KDR
SCHEMBL4871515 0.77 TRPV1 (0.57) TTBK1TRPV1
SCHEMBL6001517 0.76 TRPV1 (0.59) TRPV1
SCHEMBL4863642 0.74 KDR (0.41) TTBK1TTBK2TRPV1HTR2AHTR2C
SCHEMBL6001408 0.73 MKNK1 (0.52) TRPV1MAPTHTTKDM4EALDH1A1
SCHEMBL4864806 0.72 PIP4K2A (0.50) TRPV1KDR
SCHEMBL21036396 0.72 HTR2C (0.42) HTR2AHTR2CHTR2BMAPK1NPC1
SCHEMBL12995088 0.72 TTBK1 (0.46) TTBK1TTBK2TRPV1MAPK1PIM1

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
WO-2006062981-A2 ANTAGONISTS TO THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF ABBOTT LABORATORIES (US) 2006-06-15 WO disclosed
US-20060128710-A1 Antagonists to the vanilloid receptor subtype 1 (VR1) and uses thereof ABBOTT LABORATORIES 2006-06-15 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-20060128710-A1 Antagonists to the vanilloid receptor subtype 1 (VR1) and uses thereof OPRL1, AVPR1A, AVPR2 CD274 3360/4885TTBK1 3874/4885TTBK2 4197/4885

“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.