SCHEMBL22402473

SCHEMBL22402473

CC1(C)N[C@@H]2CCCCC[C@H]2NC1=O

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
HSD11B1 P28845 10/20 0.32
OPRM1 P35372 2/20 0.31
OPRL1 P41146 2/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 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
SCHEMBL788956 1.00 ALDH1A1 (0.37) ALDH1A1PKMHSD11B1OPRM1OPRL1
SCHEMBL788957 1.00 ALDH1A1 (0.37) ALDH1A1PKMHSD11B1OPRM1OPRL1
SCHEMBL789013 1.00 ALDH1A1 (0.37) ALDH1A1PKMHSD11B1OPRM1OPRL1
SCHEMBL789124 0.98 ALDH1A1 (0.38) ALDH1A1PKM
SCHEMBL789272 0.98 ALDH1A1 (0.38) ALDH1A1PKM
SCHEMBL9567813 0.98 ALDH1A1 (0.38) ALDH1A1PKM
SCHEMBL10752789 0.98 ALDH1A1 (0.38) ALDH1A1PKM
SCHEMBL789556 0.94 ALDH1A1 (0.33) ALDH1A1PKM
SCHEMBL789484 0.94 ALDH1A1 (0.33) ALDH1A1PKM
SCHEMBL16938253 0.94 ALDH1A1 (0.33) ALDH1A1PKM

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-11273168-B2 Methods of treating anxiety by administering a substituted quinolone OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2022-03-15 US disclosed
US-20200281951-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-09-10 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-11273168-B2 Methods of treating anxiety by administering a substituted quinolone CRH, MC2R, HTR3C ALDH1A1 1739/4885PKM 1398/4885HSD11B1 160/4885
US-20200281951-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE MC2R, SLC6A2, CRH ALDH1A1 2027/4885PKM 2807/4885HSD11B1 139/4885

“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.