SCHEMBL22179071

SCHEMBL22179071

O=C(NCCc1ccc(F)cc1)[C@@H]1CNC[C@H]1C(=O)NCCc1ccc(F)cc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.66
MC4R P32245 4/20 0.65
TLR2 O60603 2/20 0.63
TLR1 Q15399 2/20 0.63
POLB P06746 1/20 0.57
HPGD P15428 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 1/20 0.48
CASP1 P29466 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL22179326 1.00 TAAR1 (0.66) TAAR1MC4RTLR2TLR1POLB
SCHEMBL22622421 1.00 TAAR1 (0.66) TAAR1MC4RTLR2TLR1POLB
SCHEMBL22179328 1.00 TAAR1 (0.66) TAAR1MC4RTLR2TLR1POLB
Hydrochloric Acid SCHEMBL22160666 0.98 TAAR1 (0.64) TAAR1MC4RTLR2TLR1POLB
Hydrochloric Acid SCHEMBL22160606 0.98 TAAR1 (0.64) TAAR1MC4RTLR2TLR1POLB
SCHEMBL22178840 0.94 MC4R (0.75) TAAR1MC4RTLR2TLR1POLB
Hydrochloric Acid SCHEMBL22160582 0.93 MC4R (0.73) TAAR1MC4RTLR2TLR1POLB
SCHEMBL28632122 0.93 TAAR1 (0.59) TAAR1MC4RTLR2TLR1POLB
Hydrochloric Acid SCHEMBL28630341 0.92 TAAR1 (0.57) TAAR1MC4RTLR2TLR1POLB
SCHEMBL22179307 0.86 MC4R (0.67) TAAR1MC4RTLR2TLR1POLB

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 TAAR1 584/4885MC4R 105/4885TLR2 3/4885
US-11040959-B2 Diprovocims: a new and potent class of TLR agonists TLR1, TLR4, TLR2 TAAR1 629/4885MC4R 109/4885TLR2 3/4885

“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.