Sugi Predict

Sugi Predict / Compounds / SCHEMBL13314948

SCHEMBL13314948

SCHEMBL13314948

CN1CCC2(CC1)CC(=O)Nc1ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLD1 Q13393 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.44
▸ GLA P06280 1/20 0.44
▸ HTR2A P28223 2/20 0.44
▸ HTR2C P28335 2/20 0.44
▸ HTR2B P41595 2/20 0.44
▸ SIGMAR1 Q99720 2/20 0.44
▸ CCR5 P51681 2/20 0.44
▸ PDK2 Q15119 2/20 0.40
▸ PDE7A Q13946 1/20 0.40
▸ AHR P35869 1/20 0.40
▸ BRD4 O60885 2/20 0.39
▸ CREBBP Q92793 2/20 0.39
▸ DDB1 Q16531 1/20 0.39
▸ CRBN Q96SW2 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ MAPK13 O15264 1/20 0.39
▸ MAPK12 P53778 1/20 0.39
▸ MAPK11 Q15759 1/20 0.39
▸ MAPK14 Q16539 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
SCHEMBL12084719 0.84 PLD1 (0.41) PLD1CCR5PDK2PDE7AAHR
SCHEMBL13792182 0.84 PLD1 (0.47) PLD1CCR5PDK2PDE7AAHR
SCHEMBL14156745 0.84 PLD1 (0.52) PLD1CCR5PDK2PDE7ADDB1
SCHEMBL13804215 0.84 PLD1 (0.54) PLD1HTR2ASIGMAR1CCR5PDE7A
SCHEMBL15523145 0.82 PDE7A (0.49) PLD1CCR5PDK2PDE7AAHR
SCHEMBL3892412 0.81 CRBN (0.51) PLD1CCR5PDE7ADDB1CRBN
SCHEMBL8196120 0.80 PLD1 (0.44) PLD1CCR5PDK2PDE7ABRD4
SCHEMBL8224085 0.80 PLD1 (0.49) PLD1KDM4ECCR5PDK2PDE7A
SCHEMBL13641107 0.80 PDE7A (0.56) PLD1PDK2PDE7AAHRNPC1
SCHEMBL30412849 0.80 PDE7A (0.56) PLD1PDK2PDE7AAHRNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190308948-A1 3-SULFONYL-5-AMINOPYRIDINE-2,4-DIOL APJ AGONISTS BRISTOL MYERS SQUIBB CO (US) 2019-10-10 — — US disclosed
US-8952014-B2 Pyrimidine derivatives which are CGRP—antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-10 — — US disclosed
US-20130245009-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-19 — — US disclosed
US-8450327-B2 CGRP antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 — — US disclosed
US-20120149698-A1 NOUVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 — — US disclosed
US-20120088755-A1 Novel Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-12 — — US disclosed
US-8110575-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-07 — — US disclosed
US-20110172218-A1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-14 — — US disclosed
US-20110021500-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 — — US disclosed
US-20100152176-A1 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-17 — — US disclosed
US-7696201-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-13 — — US disclosed
EP-1795527-B1 CARBAMOYL-SUBSTITUTED SPIRO DERIVATIVE BANYU PHARMA CO LTD (JP) 2009-04-22 — — EP disclosed
US-7470679-B2 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 — — US disclosed
US-7384930-B2 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-10 — — US disclosed
US-7384931-B2 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-10 — — US disclosed
US-20070259850-A1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2007-11-08 — — US disclosed
EP-1795527-A1 CARBAMOYL-SUBSTITUTED SPIRO DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-06-13 — — EP 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 (8 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-20120088755-A1 Novel Compounds SLC26A4, F12, SLCO1B3 PLD1 4233/4885KDM4E 4588/4885GLA 846/4885
US-20110021500-A1 NOVEL COMPOUNDS CALCRL, CALCR, CALCA PLD1 3797/4885KDM4E 4541/4885GLA 1268/4885
US-20070259850-A1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS CALCR, BDKRB2, CALCRL PLD1 3479/4885KDM4E 4490/4885GLA 1565/4885
US-20120149698-A1 NOUVEL COMPOUNDS BDKRB2, CALCR, CALCRL PLD1 4136/4885KDM4E 3693/4885GLA 1808/4885
US-20100152176-A1 Modulators of Muscarinic Receptors CHRM3, CHRM5, CHRM2 PLD1 1313/4885KDM4E 3396/4885GLA 3179/4885
US-20190308948-A1 3-SULFONYL-5-AMINOPYRIDINE-2,4-DIOL APJ AGONISTS AP3D1, KCNJ5, TBXA2R PLD1 693/4885KDM4E 1780/4885GLA 4538/4885
US-20130245009-A1 NOVEL COMPOUNDS CALCRL, CALCR, BDKRB2 PLD1 3930/4885KDM4E 4689/4885GLA 2032/4885
US-20110172218-A1 CGRP ANTAGONISTS CALCRL, CALCR, CALCA PLD1 3766/4885KDM4E 4730/4885GLA 1005/4885

“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.