SCHEMBL21361983

SCHEMBL21361983

CCCCC(CCC)CCN1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.38
LTA4H P09960 1/20 0.38
MAPT P10636 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 4/20 0.34
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
PRMT8 Q9NR22 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CHRM1 P11229 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
OPRM1 P35372 1/20 0.34
DRD3 P35462 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL21725456 0.96 HRH3 (0.41) HRH3LTA4HMAPTUSP2ALDH1A1
SCHEMBL21361903 0.94 LTA4H (0.40) HRH3LTA4HMAPTALDH1A1CARM1
SCHEMBL19185680 0.90 LTA4H (0.44) HRH3LTA4HGNAI3GNAO1GNAI1
SCHEMBL22415111 0.90 HRH3 (0.42) HRH3MAPTALDH1A1CARM1PRMT6
SCHEMBL22857504 0.89 HRH3 (0.45) HRH3LTA4HALDH1A1GNAI3GNAO1
SCHEMBL22193259 0.88 ALDH1A1 (0.43) HRH3LTA4HMAPTUSP2ALDH1A1
SCHEMBL19185641 0.88 LTA4H (0.45) HRH3LTA4HGNAI3GNAO1GNAI1
SCHEMBL21392491 0.88 LTA4H (0.45) HRH3LTA4HGNAI3GNAO1GNAI1
SCHEMBL19185652 0.88 LTA4H (0.45) HRH3LTA4HGNAI3GNAO1GNAI1
SCHEMBL19185581 0.88 LTA4H (0.45) HRH3LTA4HGNAI3GNAO1GNAI1

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-10736881-B2 Benzimidazole derivatives: preparation and pharmaceutical applications MEI PHARMA, INC. (US) 2020-08-11 US disclosed
US-20190282547-A1 BENZIMIDAZOLE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*BIO PTE LTD. (SG) 2019-09-19 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-20190282547-A1 BENZIMIDAZOLE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS HDAC5, HDAC1, HDAC8 HRH3 177/4885LTA4H 2291/4885MAPT 3329/4885
US-10736881-B2 Benzimidazole derivatives: preparation and pharmaceutical applications HDAC5, HDAC1, HDAC8 HRH3 177/4885LTA4H 2291/4885MAPT 3329/4885

“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.