Sugi Predict

Sugi Predict / Compounds / SCHEMBL2452832

SCHEMBL2452832

SCHEMBL2452832

CCOC(=O)c1cc2cc(Cl)cc(CN3CCOCC3)c2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.45
▸ HCRTR1 O43613 1/20 0.43
▸ HCRTR2 O43614 1/20 0.43
▸ SLC2A1 P11166 1/20 0.42
▸ TSHR P16473 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ STAT3 P40763 1/20 0.42
▸ ALDH1A1 P00352 6/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ CDK1 P06493 1/20 0.41
▸ CCNB1 P14635 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ HRH4 Q9H3N8 1/20 0.39

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
SCHEMBL3253826 0.88 HRH4 (0.50) ALOX15MAPTALDH1A1CDK1CCNB1
SCHEMBL2454870 0.84 CYP2A13 (0.43) ALOX15HCRTR1HCRTR2MAPTHSD17B10
SCHEMBL2496462 0.81 ALOX15 (0.57) ALOX15LMNASMN1; SMN2RAB9AMAPT
SCHEMBL3253372 0.76 ALOX15 (0.51) ALOX15LMNASMN1; SMN2RAB9AMAPT
SCHEMBL16792471 0.76 ALOX15 (0.55) ALOX15TSHRLMNASMN1; SMN2RAB9A
SCHEMBL2452679 0.75 ALOX15 (0.50) ALOX15LMNASMN1; SMN2RAB9AMAPT
SCHEMBL30457751 0.75 ALOX15 (0.58) ALOX15LMNASMN1; SMN2RAB9AMAPT
SCHEMBL2452663 0.75 ALOX15 (0.58) ALOX15LMNASMN1; SMN2RAB9AMAPT
SCHEMBL4396474 0.75 ALOX15 (0.58) ALOX15LMNASMN1; SMN2RAB9AMAPT
SCHEMBL16486363 0.73 ALOX15 (0.56) ALOX15LMNASMN1; SMN2RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202993-B2 5-bromo-1'-[(6-bromo-1H-indol-2-yl)carbonyl]spiro[indole-3,4'-piperidin]-2(1H)-one; vasopressin receptors antagonist; antidepressant, anxiolytic agent; dysmenorrhea, hypertension, inappropriate secretion of vasopressin, liver cirrhosis, nephrotic syndrome, obsessive compulsive disorder HOFFMANN-LA ROCHE INC. (US) 2012-06-19 — — US disclosed
US-8076360-B2 e.g. {5-Chloro-2-[4-(2-oxo-2,3-dihydro-benzooxazol-7-yl)-piperidine-1-carbonyl]-1H-indol-7-yl}-acetonitrile; vasopressin receptors antagonist; antidepressant, anxiolytic; dysmenorrhea, hypertension, inappropriate secretion of vasopressin, liver cirrhosis, nephrotic syndrome, obsessive compulsive disorder HOFFMAN-LA ROCHE INC. (US) 2011-12-13 — — US disclosed
EP-2102186-B1 INDOLES HOFFMANN LA ROCHE (CH) 2011-10-05 — — EP disclosed
US-8026259-B2 e.g. {5-Chloro-2-[4-(2-oxo-2,3-dihydro-benzooxazol-7-yl)-piperidine-1-carbonyl]-1H-indol-7-yl}-acetonitrile; vasopressin receptors antagonist; antidepressant, anxiolytic agent; dysmenorrhea, hypertension, inappropriate secretion of vasopressin, liver cirrhosis, obsessive compulsive disorder HOFFMANN-LA ROCHE INC. (US) 2011-09-27 — — US disclosed
EP-2102207-B1 SPIRO-PIPERIDINE DERIVATIVES AS VIA RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-06-02 — — EP disclosed
EP-2102186-A1 INDOLES F.HOFFMANN-LA ROCHE AG (CH) 2009-09-23 — — EP disclosed
EP-2102207-A1 SPIRO-PIPERIDINE DERIVATIVES AS VIA RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2009-09-23 — — EP disclosed
US-20080146568-A1 SPIRO-PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-06-19 — — US disclosed
WO-2008068185-A1 SPIRO-PIPERIDINE DERIVATIVES AS VIA RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 — — WO disclosed
US-20080139550-A1 INDOLES HOFFMANN-LA ROCHE INC. 2008-06-12 — — US disclosed
US-20080139549-A1 INDOLES HOFFMANN-LA ROCHE INC. 2008-06-12 — — US disclosed
US-20080139553-A1 SPIRO-PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-06-12 — — US disclosed
US-20080139554-A1 SPIRO-PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2008-06-12 — — US disclosed
WO-2008068183-A1 INDOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 — — WO disclosed
US-20080139552-A1 INDOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 — — 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 (6 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-20080139553-A1 SPIRO-PIPERIDINE DERIVATIVES AVPR1A, AVPR1B, AVPR2 ALOX15 4131/4885HCRTR1 65/4885HCRTR2 130/4885
US-20080139554-A1 SPIRO-PIPERIDINE DERIVATIVES AVPR1A, AVPR1B, AVPR2 ALOX15 4131/4885HCRTR1 65/4885HCRTR2 130/4885
US-20080139550-A1 INDOLES HTR1A, AVPR1A, HTR4 ALOX15 3135/4885HCRTR1 75/4885HCRTR2 106/4885
US-20080139552-A1 INDOLES HTR1A, AVPR1A, HTR4 ALOX15 3144/4885HCRTR1 74/4885HCRTR2 102/4885
US-20080146568-A1 SPIRO-PIPERIDINE DERIVATIVES AVPR1A, AVPR1B, AVPR2 ALOX15 4131/4885HCRTR1 65/4885HCRTR2 130/4885
US-20080139549-A1 INDOLES HTR1A, AVPR1A, HTR4 ALOX15 3144/4885HCRTR1 74/4885HCRTR2 102/4885

“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.