SCHEMBL18768680

SCHEMBL18768680

CC1CCCCN1C1CCCCCC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.36
KCNH2 Q12809 1/20 0.35
RECQL P46063 1/20 0.34
GAA P10253 3/20 0.34
HPGD P15428 2/20 0.34
CHRM2 P08172 2/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL21160967 1.00 HRH3 (0.36) HRH3KCNH2RECQLGAAHPGD
SCHEMBL633803 1.00 HRH3 (0.36) HRH3KCNH2RECQLGAAHPGD
SCHEMBL6496552 1.00 HRH3 (0.36) HRH3KCNH2RECQLGAAHPGD
SCHEMBL19649547 0.98 RECQL (0.38) HRH3KCNH2RECQLGAAHPGD
SCHEMBL16627509 0.98 RECQL (0.38) HRH3KCNH2RECQLGAAHPGD
SCHEMBL10996925 0.97 HRH3 (0.36) HRH3KCNH2GAAHPGDALDH1A1
SCHEMBL7021706 0.95 HRH3 (0.35) HRH3KCNH2RECQLGAAHPGD
SCHEMBL16254919 0.95 HRH3 (0.35) HRH3KCNH2RECQLGAAHPGD
SCHEMBL30341037 0.95 HRH3 (0.35) HRH3KCNH2RECQLGAAHPGD
SCHEMBL5872327 0.95 HRH3 (0.38) HRH3KCNH2RECQLGAALMNA

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-9981957-B2 Synthetic process THE UNIVERSITY OF LIVERPOOL (GB) 2018-05-29 US disclosed
US-20170107208-A1 SYNTHETIC PROCESS THE UNIVERSITY OF LIVERPOOL (GB) 2017-04-20 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-20170107208-A1 SYNTHETIC PROCESS PIR, SRM, SMS HRH3 25/4885KCNH2 801/4885RECQL 4135/4885

“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.