SCHEMBL19601653

SCHEMBL19601653

CC(=O)N1CCCc2cccc(CC(C)C)c21

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.51
TSHR P16473 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GRM7 Q14831 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39

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
SCHEMBL19603153 0.86 NOTUM (0.56) NOTUMTSHRALDH1A1LMNASMN1; SMN2
SCHEMBL19603446 0.82 NOTUM (0.52) NOTUMTSHRALDH1A1LMNASMN1; SMN2
SCHEMBL19601652 0.77 GABRA1 (0.40) TSHRALDH1A1MEN1KMT2AGABRA1
SCHEMBL17544697 0.77 NOTUM (0.59) NOTUMTSHRALDH1A1LMNASMN1; SMN2
SCHEMBL14591324 0.77 NOTUM (0.59) NOTUMTSHRALDH1A1LMNASMN1; SMN2
SCHEMBL19601646 0.76 HRH3 (0.47) ALDH1A1MEN1KMT2AGABRA1GABRB2
SCHEMBL19601639 0.76 PIK3CD (0.42) ALDH1A1MEN1KMT2AGABRA1GABRB2
SCHEMBL19601648 0.76 RAB9A (0.38) ALDH1A1SMN1; SMN2MEN1KMT2AGABRA1
SCHEMBL29216428 0.76 NOTUM (0.58) NOTUMTSHRALDH1A1LMNASMN1; SMN2
SCHEMBL3720316 0.76 NOTUM (0.58) NOTUMTSHRALDH1A1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10030020-B2 Spirocycle compounds and methods of making and using same ABIDE THERAPEUTICS, INC. (US) 2018-07-24 US disclosed
US-10030020-B2 Spirocycle compounds and methods of making and using same ABIDE THERAPEUTICS, INC. (US) 2018-07-24 US disclosed
US-20170327500-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2017-11-16 US disclosed
US-20170327500-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2017-11-16 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-20170327500-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABHD6, ABHD16A, ACSL6 NOTUM 710/4885TSHR 4623/4885ALDH1A1 932/4885
US-10030020-B2 Spirocycle compounds and methods of making and using same ABHD6, ABHD16A, ACSL6 NOTUM 710/4885TSHR 4623/4885ALDH1A1 932/4885

“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.