Sugi Predict

Sugi Predict / Compounds / SCHEMBL1806188

SCHEMBL1806188

SCHEMBL1806188

Cc1nn(-c2c(F)cccc2-c2nccn2C)cc1C=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.39
▸ HTR2C P28335 2/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HDAC4 P56524 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ KCNN4 O15554 1/20 0.32
▸ GABRG2 P18507 1/20 0.31
▸ GABRB3 P28472 1/20 0.31
▸ GABRA5 P31644 1/20 0.31
▸ ATR Q13535 1/20 0.31
▸ CCNE2 O96020 1/20 0.31
▸ CCNE1 P24864 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ IDO1 P14902 1/20 0.31
▸ NMT1 P30419 1/20 0.30
▸ ADRA1D P25100 1/20 0.30
▸ ADRA1A P35348 1/20 0.30
▸ ADRA1B P35368 1/20 0.30
▸ MC4R P32245 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL1805377 0.81 ERN1 (0.40) LMNAKCNN4ALDH1A1HTTSMN1; SMN2
SCHEMBL1809528 0.81 ALKBH1 (0.39) BRD4HTR2CHTR2AHDAC4LMNA
SCHEMBL27888223 0.81 MC4R (0.39) BRD4HTR2CHTR2ALMNAKCNN4
SCHEMBL1805412 0.80 BRD4 (0.39) BRD4HTR2CHTR2AHDAC4LMNA
SCHEMBL1808978 0.78 ALDH1A1 (0.37) ALDH1A1HTTSMN1; SMN2POLB
SCHEMBL1806223 0.77 JMJD6 (0.41) BRD4LMNAALDH1A1SMN1; SMN2POLB
SCHEMBL1806128 0.75 ERN1 (0.35) LMNAALDH1A1HTTSMN1; SMN2POLB
SCHEMBL1808455 0.72 C5AR1 (0.33) ALDH1A1HTTSMN1; SMN2POLB
SCHEMBL1804268 0.72 KMT2A (0.43) LMNAALDH1A1SMN1; SMN2POLB
SCHEMBL19153680 0.72 BRD4 (0.53) BRD4HTR2CHTR2AHDAC4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2501704-B1 Spiropiperidine compounds as oral-1 receptor antagagonisten LILLY CO ELI (US) 2013-09-18 — — EP disclosed
EP-2501704-B1 Spiropiperidine compounds as oral-1 receptor antagagonisten LILLY CO ELI (US) 2013-09-18 — — EP disclosed
EP-2501704-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS Eli Lilly and Company (US) 2012-09-26 — — EP disclosed
CN-102666550-A Spiropiperidine compounds as ORL-1 receptor antagonists LILLY CO ELI 2012-09-12 — — CN disclosed
US-20120214784-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2012-08-23 — — US disclosed
US-20120214784-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2012-08-23 — — US disclosed
US-20120214784-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2012-08-23 — — US disclosed
WO-2011060217-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2011-05-19 — — WO disclosed
WO-2011060217-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2011-05-19 — — WO 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 (1 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-20120214784-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS OPRL1, ORMDL3, OGFRL1 BRD4 2575/4885HTR2C 159/4885HTR2A 80/4885

“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.