Sugi Predict

Sugi Predict / Compounds / SCHEMBL19601639

SCHEMBL19601639

SCHEMBL19601639

CC(C)Cc1cccc2c1N(CC(C)C)CCC2

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 2/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ GABRA1 P14867 1/20 0.39
▸ GABRB2 P47870 1/20 0.39
▸ PTGER4 P35408 2/20 0.37
▸ PTGER2 P43116 2/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ HTR2C P28335 3/20 0.34
▸ CES1 P23141 2/20 0.34
▸ HTR2B P41595 2/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ HTR1A P08908 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ HTR2A P28223 1/20 0.33

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
SCHEMBL19603148 0.88 PIK3CD (0.46) PIK3CDMEN1ALDH1A1KMT2APTGER4
SCHEMBL19601646 0.88 HRH3 (0.47) MEN1ALDH1A1KMT2AGABRA1GABRB2
SCHEMBL19603214 0.87 PIK3CD (0.41) PIK3CDMEN1ALDH1A1KMT2APTGER4
SCHEMBL3504210 0.81 PIK3CD (0.44) PIK3CDMEN1ALDH1A1KMT2AHRH3
SCHEMBL19601652 0.81 GABRA1 (0.40) MEN1ALDH1A1KMT2AGABRA1GABRB2
SCHEMBL19601648 0.79 RAB9A (0.38) MEN1ALDH1A1KMT2AGABRA1GABRB2
SCHEMBL19601640 0.77 HTR2C (0.40) MEN1ALDH1A1KMT2AGABRA1GABRB2
SCHEMBL19601653 0.76 NOTUM (0.51) MEN1ALDH1A1KMT2AGABRA1GABRB2
SCHEMBL13416744 0.73 ALDH1A1 (0.61) PIK3CDMEN1ALDH1A1KMT2AGAA
SCHEMBL19603145 0.72 HRH3 (0.51) MEN1ALDH1A1KMT2APTGER4PTGER2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10781211-B2 Spirocycle compounds and methods of making and using same LUNDBECK LA JOLLA RESEARCH CENTER, INC. (US) 2020-09-22 — — US disclosed
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
WO-2017197192-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABIDE THERAPEUTICS, INC. (US) 2017-11-16 — — WO 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 (3 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-10781211-B2 Spirocycle compounds and methods of making and using same ABHD6, ABHD16A, ACSL6 PIK3CD 3332/4885MEN1 3674/4885ALDH1A1 932/4885
US-20170327500-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABHD6, ABHD16A, ACSL6 PIK3CD 3332/4885MEN1 3674/4885ALDH1A1 932/4885
US-10030020-B2 Spirocycle compounds and methods of making and using same ABHD6, ABHD16A, ACSL6 PIK3CD 3332/4885MEN1 3674/4885ALDH1A1 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.