SCHEMBL23968815

SCHEMBL23968815

CC(=O)N1CCC2(CCN(Cc3ccccc3)C2)CC1

nearest known ligand 0.87

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 12/20 0.87
TSHR P16473 8/20 0.76
CYP3A4 P08684 8/20 0.76
ALDH1A1 P00352 4/20 0.65
CHRM2 P08172 1/20 0.60
CHRM3 P20309 1/20 0.60
USP2 O75604 1/20 0.59
CYP1A2 P05177 2/20 0.59
MEN1 O00255 1/20 0.59
CYP2C9 P11712 1/20 0.59
KMT2A Q03164 1/20 0.59
OPRM1 P35372 1/20 0.57
OPRL1 P41146 1/20 0.57
MAPK1 P28482 1/20 0.57
CYP2C19 P33261 1/20 0.57

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
SCHEMBL9851657 0.91 CYP2D6 (0.81) CYP2D6TSHRCYP3A4ALDH1A1CHRM2
SCHEMBL23642169 0.85 CYP2D6 (0.65) CYP2D6TSHRCYP3A4ALDH1A1CHRM2
SCHEMBL23642168 0.85 CYP2D6 (0.65) CYP2D6TSHRCYP3A4ALDH1A1CHRM2
SCHEMBL4692167 0.84 CYP2D6 (0.70) CYP2D6TSHRCYP3A4ALDH1A1CHRM2
SCHEMBL1732446 0.83 CYP2D6 (0.65) CYP2D6TSHRCYP3A4ALDH1A1USP2
SCHEMBL4927933 0.82 CYP2D6 (0.69) CYP2D6TSHRCYP3A4ALDH1A1CHRM2
SCHEMBL8060461 0.82 CYP2D6 (0.67) CYP2D6TSHRCYP3A4ALDH1A1CHRM2
SCHEMBL5243003 0.81 CYP2D6 (0.67) CYP2D6TSHRCYP3A4ALDH1A1USP2
SCHEMBL19320647 0.80 MC4R (0.61) CYP2D6TSHRCYP3A4ALDH1A1MEN1
SCHEMBL16600547 0.80 CYP2D6 (0.66) CYP2D6TSHRCYP3A4ALDH1A1CHRM2

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-11161856-B2 Spirocycle compounds and methods of making and using same H. LUNDBECK A/S (DK) 2021-11-02 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-11161856-B2 Spirocycle compounds and methods of making and using same OPRL1, MGLL, VKORC1L1 CYP2D6 459/4885TSHR 4381/4885CYP3A4 2792/4885

“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.