SCHEMBL22178792

SCHEMBL22178792

CCCCCCCCCCCCNC(=O)[C@H]1CCNC1

nearest known ligand 0.80

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 4/20 0.80
GNAO1 P09471 4/20 0.80
GNAI1 P63096 4/20 0.80
NAAA Q02083 1/20 0.62
PRCP P42785 3/20 0.60
EPHX1 P07099 1/20 0.56
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA7 P36544 1/20 0.46
CHRNA4 P43681 1/20 0.46

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
SCHEMBL22179378 1.00 GNAI3 (0.80) GNAI3GNAO1GNAI1NAAAPRCP
SCHEMBL11841856 1.00 GNAI3 (0.80) GNAI3GNAO1GNAI1NAAAPRCP
SCHEMBL22179098 1.00 GNAI3 (0.80) GNAI3GNAO1GNAI1NAAAPRCP
SCHEMBL22178782 1.00 GNAI3 (0.80) GNAI3GNAO1GNAI1NAAAPRCP
SCHEMBL22179371 1.00 GNAI3 (0.80) GNAI3GNAO1GNAI1NAAAPRCP
SCHEMBL22178791 1.00 GNAI3 (0.80) GNAI3GNAO1GNAI1NAAAPRCP
SCHEMBL22178856 1.00 GNAI3 (0.80) GNAI3GNAO1GNAI1NAAAPRCP
SCHEMBL22179122 1.00 GNAI3 (0.80) GNAI3GNAO1GNAI1NAAAPRCP
Hydrochloric Acid SCHEMBL22160569 0.98 GNAI3 (0.83) GNAI3GNAO1GNAI1NAAAPRCP
Hydrochloric Acid SCHEMBL22160609 0.98 GNAI3 (0.83) GNAI3GNAO1GNAI1NAAAPRCP

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
US-11040959-B2 Diprovocims: a new and potent class of TLR agonists THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-06-22 US disclosed
EP-3445758-B1 DIPROVOCIMS: A NEW AND POTENT CLASS OF TLR AGONISTS SCRIPPS RESEARCH INST (US) 2020-11-04 EP disclosed
US-20200207742-A1 DIPROVOCIMS: A NEW AND POTENT CLASS OF TLR AGONISTS THE SCRIPPS RESEARCH INSTITUTE 2020-07-02 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-20200207742-A1 DIPROVOCIMS: A NEW AND POTENT CLASS OF TLR AGONISTS TLR1, TLR4, TLR2 GNAI3 2266/4885GNAO1 1783/4885GNAI1 1512/4885
US-11040959-B2 Diprovocims: a new and potent class of TLR agonists TLR1, TLR4, TLR2 GNAI3 2152/4885GNAO1 1708/4885GNAI1 1408/4885

“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.