SCHEMBL17198752

SCHEMBL17198752

CN(C)C(=N)NC(=N)N(C)CCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.48
AOC3 Q16853 3/20 0.46
NPY5R Q15761 1/20 0.43
ABCC1 P33527 1/20 0.43
MLYCD O95822 1/20 0.41
SIGMAR1 Q99720 4/20 0.41
LTB4R Q15722 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40
LIPE Q05469 1/20 0.39
KMT2A Q03164 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
SCHEMBL14868314 0.85 AOC3 (0.49) TAAR1AOC3NPY5RABCC1MLYCD
SCHEMBL13584266 0.84 SIGMAR1 (0.45) TAAR1AOC3NPY5RABCC1SIGMAR1
SCHEMBL17198853 0.84 TAAR1 (0.51) TAAR1AOC3SIGMAR1
SCHEMBL14868329 0.84 TAAR1 (0.46) TAAR1AOC3NPY5RABCC1MLYCD
Hydrochloric Acid SCHEMBL1939030 0.84 AOC3 (0.47) TAAR1AOC3NPY5RABCC1MLYCD
Hydrochloric Acid SCHEMBL13584552 0.83 SIGMAR1 (0.44) TAAR1AOC3NPY5RABCC1SIGMAR1
SCHEMBL18624782 0.83 TAAR1 (0.42) TAAR1AOC3NPY5RABCC1MLYCD
Hydrochloric Acid SCHEMBL28482320 0.83 TAAR1 (0.44) TAAR1AOC3NPY5RABCC1MLYCD
SCHEMBL17198794 0.81 AOC3 (0.51) TAAR1AOC3SIGMAR1
SCHEMBL13641355 0.77 NPC1 (0.58) AOC3ABCC1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3131877-B1 BIGUANIDE COMPOUNDS IMMUNOMET THERAPEUTICS INC (US) 2023-07-19 EP disclosed
US-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF IMMUNOMET THERAPEUTICS INC. (US) 2017-03-16 US disclosed
US-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF IMMUNOMET THERAPEUTICS INC. (US) 2017-03-16 US disclosed
WO-2015160220-A1 GUANIDINE COMPOUNDS AND USE THEREOF HANALL BIOPHARMA CO., LTD. (KR) 2015-10-22 WO 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-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF PC, TFAM, PCK2 TAAR1 4576/4885AOC3 3138/4885NPY5R 3786/4885

“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.