SCHEMBL20733674

SCHEMBL20733674

CCCCN1CCCCCCCC1

nearest known ligand 0.81

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.65
CYP1A2 P05177 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GNAI3 P08754 2/20 0.46
GNAO1 P09471 2/20 0.46
GNAI1 P63096 2/20 0.46
LTA4H P09960 1/20 0.46
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
CARM1 Q86X55 1/20 0.44
PRMT6 Q96LA8 1/20 0.44
PRMT8 Q9NR22 1/20 0.44
HRH1 P35367 1/20 0.44
GLB1 P16278 1/20 0.43

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
SCHEMBL205387 1.00 HRH3 (0.65) HRH3CYP1A2MAPK1SMN1; SMN2GNAI3
SCHEMBL28341435 1.00 HRH3 (0.65) HRH3CYP1A2MAPK1SMN1; SMN2GNAI3
SCHEMBL6506788 1.00 HRH3 (0.65) HRH3CYP1A2MAPK1SMN1; SMN2GNAI3
SCHEMBL6506197 1.00 HRH3 (0.65) HRH3CYP1A2MAPK1SMN1; SMN2GNAI3
SCHEMBL60452 1.00 HRH3 (0.65) HRH3CYP1A2MAPK1SMN1; SMN2GNAI3
SCHEMBL18180403 1.00 HRH3 (0.65) HRH3CYP1A2MAPK1SMN1; SMN2GNAI3
Butane SCHEMBL2507294 0.97 HRH3 (0.62) HRH3CYP1A2MAPK1SMN1; SMN2GNAI3
Hydrochloric Acid SCHEMBL15141354 0.97 HRH3 (0.62) HRH3CYP1A2MAPK1SMN1; SMN2GNAI3
Water SCHEMBL28467820 0.97 HRH3 (0.62) HRH3CYP1A2MAPK1SMN1; SMN2GNAI3
Ammonia Solution, Strong SCHEMBL8765175 0.97 HRH3 (0.62) HRH3CYP1A2MAPK1SMN1; SMN2GNAI3

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
EP-3623361-A1 LIPIDS AND LIPID COMPOSITIONS FOR THE DELIVERY OF ACTIVE AGENTS Novartis AG (CH) 2020-03-18 EP disclosed
US-20190047997-A1 6,7,8,9-TETRAHYDRO-5H-PYRIDO[2,3-d]AZEPINE DOPAMINE D3 LIGANDS PFIZER INC. (US) 2019-02-14 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-20190047997-A1 6,7,8,9-TETRAHYDRO-5H-PYRIDO[2,3-d]AZEPINE DOPAMINE D3 LIGANDS DRD3, DRD2, DRD4 HRH3 160/4885CYP1A2 215/4885MAPK1 1620/4885

“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.