SCHEMBL20915922

SCHEMBL20915922

COC(=O)CCCCNC(C)CCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.55
SIGMAR1 Q99720 7/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CA12 O43570 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HPGD P15428 1/20 0.49
ALDH1A1 P00352 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL19438553 1.00 OPRK1 (0.55) OPRK1SIGMAR1MEN1KMT2ACA12
SCHEMBL20915921 1.00 OPRK1 (0.55) OPRK1SIGMAR1MEN1KMT2ACA12
SCHEMBL19438736 0.89 SIGMAR1 (0.56) SIGMAR1KMT2ACA12CA7CA9
SCHEMBL19438542 0.81 SIGMAR1 (0.59) SIGMAR1MEN1KMT2ACA12CA7
SCHEMBL19438777 0.81 SIGMAR1 (0.59) SIGMAR1CA12CA7CA9CA14
SCHEMBL19438607 0.81 SIGMAR1 (0.61) SIGMAR1CA12CA7CA9CA14
SCHEMBL4932073 0.80 SIGMAR1 (0.62) SIGMAR1CA12CA7CA9CA14
Hydrochloric Acid SCHEMBL19438468 0.80 SIGMAR1 (0.58) SIGMAR1CA12CA7CA9CA14
SCHEMBL8829830 0.80 SIGMAR1 (0.60) OPRK1SIGMAR1MEN1KMT2ACA12
SCHEMBL28968728 0.80 SIGMAR1 (0.64) SIGMAR1CA12CA7CA9CA14

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190119200-A1 TERTIARY AMIDES AND METHOD OF USE ABBVIE PHARMACEUTICAL TRADING (SHANGHAI) CO., LTD. (CN) 2019-04-25 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-20190119200-A1 TERTIARY AMIDES AND METHOD OF USE LPAR1, LPAR3, LPAR2 OPRK1 720/4885SIGMAR1 233/4885MEN1 1001/4885

“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.