SCHEMBL22106038

SCHEMBL22106038

CN1CCCN2CCCCN=C12

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
INMT O95050 3/20 0.38
USP2 O75604 1/20 0.38
HRH4 Q9H3N8 1/20 0.32
ABCB11 O95342 1/20 0.31
CHRM2 P08172 1/20 0.31
MAOA P21397 1/20 0.31
ACHE P22303 1/20 0.31
PTGS1 P23219 1/20 0.31

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
SCHEMBL22106039 0.98 USP2 (0.41) INMTUSP2HRH4ABCB11CHRM2
SCHEMBL58331 0.93 INMT (0.39) INMTUSP2ABCB11CHRM2MAOA
SCHEMBL14753506 0.93 INMT (0.43) INMTUSP2HRH4ABCB11CHRM2
SCHEMBL22106040 0.91 INMT (0.47) INMTUSP2HRH4ABCB11CHRM2
Hydrochloric Acid SCHEMBL31500435 0.91 INMT (0.38) INMTUSP2ABCB11CHRM2MAOA
SCHEMBL15038753 0.91 NOS1 (0.35) INMTUSP2
SCHEMBL14753505 0.84 INMT (0.39) INMTUSP2HRH4ABCB11CHRM2
Acetic Acid SCHEMBL20424809 0.83 INMT (0.40) INMTUSP2CHRM2MAOA
Acetic Acid SCHEMBL23577688 0.81 INMT (0.39) INMTUSP2CHRM2MAOA
SCHEMBL22186981 0.81 INMT (0.56) INMTUSP2

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-11380852-B2 N-type dopants for efficient solar cells THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-07-05 US disclosed
US-20200194686-A1 N-TYPE DOPANTS FOR EFFICIENT SOLAR CELLS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-06-18 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-11380852-B2 N-type dopants for efficient solar cells DCTD, ALKBH2, METTL3 INMT 29/4885USP2 3210/4885HRH4 4133/4885
US-20200194686-A1 N-TYPE DOPANTS FOR EFFICIENT SOLAR CELLS DCTD, ALKBH2, METTL3 INMT 29/4885USP2 3210/4885HRH4 4133/4885

“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.