SCHEMBL19798086

SCHEMBL19798086

CCCCCCCCC(C)(C)CC(C)(C)CN

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.41
SMPD1 P17405 2/20 0.41
DNM1 Q05193 8/20 0.40
TSHR P16473 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40
EPHX1 P07099 1/20 0.40
CYP2D6 P10635 1/20 0.39
THRB P10828 1/20 0.36
GGPS1 O95749 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
SCHEMBL3626000 0.88 DNM1 (0.46) FDPSSMPD1DNM1TSHRMEN1
SCHEMBL27656728 0.88 DNM1 (0.46) FDPSSMPD1DNM1TSHRMEN1
SCHEMBL37594 0.88 DNM1 (0.46) FDPSSMPD1DNM1TSHRMEN1
SCHEMBL3625436 0.88 DNM1 (0.46) FDPSSMPD1DNM1TSHRMEN1
SCHEMBL3627595 0.88 DNM1 (0.46) FDPSSMPD1DNM1TSHRMEN1
SCHEMBL14012811 0.88 DNM1 (0.46) FDPSSMPD1DNM1TSHRMEN1
SCHEMBL41716 0.88 DNM1 (0.46) FDPSSMPD1DNM1TSHRMEN1
SCHEMBL17359326 0.88 DNM1 (0.46) FDPSSMPD1DNM1TSHRMEN1
SCHEMBL7483482 0.85 CYP2D6 (0.47) FDPSSMPD1DNM1TSHRMEN1
SCHEMBL24375706 0.84 DNM1 (0.42) FDPSSMPD1DNM1TSHRMEN1

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-10202344-B2 Aryl substituted indoles and the use thereof PURDUE PHARMA L.P. (US) 2019-02-12 US disclosed
US-20180022699-A1 ARYL SUBSTITUTED INDOLES AND THE USE THEREOF PURDUE PHARMA L.P. 2018-01-25 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 (2 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-20180022699-A1 ARYL SUBSTITUTED INDOLES AND THE USE THEREOF TRPC5, TRPV5, TRPV1 FDPS 1593/4885SMPD1 1350/4885DNM1 3596/4885
US-10202344-B2 Aryl substituted indoles and the use thereof TRPC5, TRPV5, TRPV1 FDPS 1593/4885SMPD1 1350/4885DNM1 3596/4885

“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.