Sugi Predict

Sugi Predict / Compounds / SCHEMBL19601640

SCHEMBL19601640

SCHEMBL19601640

CC(C)Cc1cccc2c1N(C1CC1)CCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 8/20 0.40
▸ HTR2B P41595 7/20 0.40
▸ GABRA1 P14867 1/20 0.37
▸ GABRB2 P47870 1/20 0.37
▸ OPRM1 P35372 1/20 0.35
▸ OPRD1 P41143 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ OPRL1 P41146 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ HTR1A P08908 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ AURKA O14965 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CES1 P23141 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HTT P42858 1/20 0.32

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
SCHEMBL19603206 0.84 HTR2C (0.43) HTR2CHTR2BALOX12HTR1AHTR2A
SCHEMBL19603154 0.82 HTR2C (0.41) HTR2CHTR2BALOX12HTR1AHTR2A
SCHEMBL19603209 0.81 HTR2C (0.43) HTR2CHTR2BALOX12HTR1AHTR2A
SCHEMBL19601652 0.78 GABRA1 (0.40) HTR2CHTR2BGABRA1GABRB2ALOX12
SCHEMBL19601639 0.77 PIK3CD (0.42) HTR2CHTR2BGABRA1GABRB2ALOX12
SCHEMBL19601646 0.77 HRH3 (0.47) HTR2CHTR2BGABRA1GABRB2ALOX12
SCHEMBL19601653 0.74 NOTUM (0.51) GABRA1GABRB2ALDH1A1TSHRMEN1
SCHEMBL19601648 0.74 RAB9A (0.38) GABRA1GABRB2ALOX12ALDH1A1NPSR1
SCHEMBL19601644 0.69 OPRM1 (0.38) HTR2CHTR2BGABRA1GABRB2OPRM1
SCHEMBL10996575 0.66 HTR2C (0.44) HTR2CHTR2BALOX12HTR1ACES1

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 5 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
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 HTR2C 2887/4885HTR2B 4139/4885GABRA1 4077/4885
US-20170327500-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABHD6, ABHD16A, ACSL6 HTR2C 2887/4885HTR2B 4139/4885GABRA1 4077/4885
US-10030020-B2 Spirocycle compounds and methods of making and using same ABHD6, ABHD16A, ACSL6 HTR2C 2887/4885HTR2B 4139/4885GABRA1 4077/4885

“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.