SCHEMBL19601686

SCHEMBL19601686

C=C(C)CC1(CNCc2ccc(Cl)cc2)CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
LMNA P02545 2/20 0.38
THRB P10828 1/20 0.38
MC4R P32245 6/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
EPHX1 P07099 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CHRM2 P08172 1/20 0.36
GAA P10253 1/20 0.35
ALOX12 P18054 1/20 0.35

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
SCHEMBL19582634 0.78 MMP1 (0.46) LMNAKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL19582553 0.72 KDM4E (0.49) LMNARAB9AKMT2AMEN1ALDH1A1
SCHEMBL6802528 0.69 DPP7 (0.35) THRBMC4RKMT2AMEN1ALDH1A1
SCHEMBL6378630 0.69 ALDH1A1 (0.52) LMNANPC1RAB9AEPHX1KMT2A
SCHEMBL16838973 0.69 HSD11B1 (0.41) NPC1RAB9AEPHX1KMT2AMEN1
SCHEMBL31135123 0.68 USP2 (0.37) LMNAALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL6378763 0.68 ALDH1A1 (0.51) LMNANPC1RAB9AEPHX1KMT2A
SCHEMBL16838963 0.68 ALDH1A1 (0.42) SLC6A2SLC6A4SLC6A3LMNANPC1
SCHEMBL10643722 0.65 SMN1; SMN2 (0.42) LMNAKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL415949 0.64 CHRM2 (0.67) LMNATHRBKMT2AMEN1ALDH1A1

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-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

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 SLC6A2 2504/4885SLC6A4 2371/4885SLC6A3 1038/4885
US-10030020-B2 Spirocycle compounds and methods of making and using same ABHD6, ABHD16A, ACSL6 SLC6A2 2504/4885SLC6A4 2371/4885SLC6A3 1038/4885

“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.