Sugi Predict

Sugi Predict / Compounds / SCHEMBL10134256

SCHEMBL10134256

SCHEMBL10134256

CCC(C)c1cccnc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.48
▸ NISCH Q9Y2I1 1/20 0.40
▸ PDE1A P54750 3/20 0.39
▸ PDE1B Q01064 3/20 0.39
▸ PDE1C Q14123 3/20 0.39
▸ HTT P42858 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ P2RX7 Q99572 1/20 0.37
▸ CYP2A6 P11509 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
SCHEMBL12139672 1.00 TSHR (0.48) TSHRNISCHPDE1APDE1BPDE1C
SCHEMBL26169678 0.85 HRH1 (0.36) TSHRPDE1APDE1BPDE1CHRH1
SCHEMBL21401007 0.82 TAAR1 (0.41) HRH1P2RX7CYP2A6
SCHEMBL12330518 0.82 P2RX7 (0.40) TSHRHRH1L3MBTL1ALDH1A1P2RX7
SCHEMBL26776150 0.82 PDE1A (0.38) TSHRPDE1APDE1BPDE1CHRH1
SCHEMBL15061220 0.81 HRH1 (0.36) PDE1APDE1BPDE1CHRH1P2RX7
SCHEMBL19058565 0.80 TSHR (0.48) TSHRNISCHPDE1APDE1BPDE1C
SCHEMBL26081362 0.80 TSHR (0.48) TSHRNISCHPDE1APDE1BPDE1C
SCHEMBL23082844 0.79 FAAH (0.36) HTTNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL24261276 0.79 FAAH (0.36) HTTNPC1HPGDRAB9ASMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170275260-A1 ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS MERCK SHARP & DOHME CORP. (US) 2017-09-28 — — US disclosed
US-20120021976-A1 BICYCLIC PIPERIDINE AND PIPERAZINE DERIVATIVES AS GPCR MODULATORS FOR THE TREATMENT OF OBESITY, DIABETES AND OTHER METABOLIC DISORDERS MERCK SHARP & DOHME LLC 2012-01-26 — — US disclosed
US-8067598-B2 Heterofused piperidines as orexin antagonists HOFFMAN-LA ROCHE INC. (US) 2011-11-29 — — US disclosed
US-20100331313-A1 Thiazole Derivatives as Protein Kinase Inhibitors SCHERING CORPORATION 2010-12-30 — — US disclosed
US-20080249125-A1 HETEROCYCLIC DERIVATIVES AS OREXIN ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2008-10-09 — — 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 (4 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-20100331313-A1 Thiazole Derivatives as Protein Kinase Inhibitors DAPK2, DAPK1, JAK1 TSHR 2751/4885NISCH 2445/4885PDE1A 1380/4885
US-20120021976-A1 BICYCLIC PIPERIDINE AND PIPERAZINE DERIVATIVES AS GPCR MODULATORS FOR THE TREATMENT OF OBESITY, DIABETES AND OTHER METABOLIC DISORDERS GPR119, GPR55, GPR4 TSHR 537/4885NISCH 2700/4885PDE1A 754/4885
US-20080249125-A1 HETEROCYCLIC DERIVATIVES AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, HRH3 TSHR 291/4885NISCH 1173/4885PDE1A 2015/4885
US-20170275260-A1 ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA7, CHRNA5, CHRNA6 TSHR 323/4885NISCH 3004/4885PDE1A 216/4885

“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.