SCHEMBL18918296

SCHEMBL18918296

CC(C)N(C(=O)N1CCCCC1)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL12988414 0.98 ALDH1A1 (0.40) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL11508728 0.79 HTR1A (0.55) ALDH1A1HTT
SCHEMBL18051947 0.77 ALDH1A1 (0.41) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL12470961 0.77 MAPT (0.55) SMN1; SMN2MEN1KMT2AMMP1MMP3
SCHEMBL11506629 0.77 HRH3 (0.49) ALDH1A1
SCHEMBL14319076 0.76 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
Hydrochloric Acid SCHEMBL11689098 0.76 ALDH1A1 (0.39) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL4591291 0.76 CHRNB2 (0.45) ALDH1A1HPGDPOLB
SCHEMBL3807935 0.76 GNAI3 (0.42) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL378130 0.75 MAPT (0.52) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A

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-9907805-B2 Muscarinic M1 receptor agonists HEPTARES THERAPEUTICS LIMITED (GB) 2018-03-06 US disclosed
US-20170157139-A1 MUSCARINIC M1 RECEPTOR AGONISTS NXERA PHARMA UK LIMITED (GB) 2017-06-08 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-20170157139-A1 MUSCARINIC M1 RECEPTOR AGONISTS CHRM1, CHRM2, CHRM3 ALDH1A1 1394/4885HPGD 2584/4885SMN1; SMN2 1295/4885

“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.