SCHEMBL2222591

SCHEMBL2222591

FC1(c2ccccn2)CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
HSD17B10 Q99714 5/20 0.46
HPGD P15428 3/20 0.46
CYP1A2 P05177 3/20 0.46
CYP2D6 P10635 4/20 0.45
CYP3A4 P08684 3/20 0.45
TSHR P16473 3/20 0.45
USP2 O75604 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
MEN1 O00255 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PLD1 Q13393 1/20 0.41
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
PIM1 P11309 1/20 0.39
OPRM1 P35372 2/20 0.38

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
Hydrochloric Acid SCHEMBL13858427 0.98 ALDH1A1 (0.45) ALDH1A1HSD17B10HPGDCYP1A2CYP2D6
Hydrochloric Acid SCHEMBL30584731 0.98 ALDH1A1 (0.45) ALDH1A1HSD17B10HPGDCYP1A2CYP2D6
SCHEMBL29791494 0.86 GRIN1 (0.46) CYP1A2MEN1KMT2AGRIN1GRIN2A
SCHEMBL29730766 0.82 GRIN1 (0.51) ALDH1A1CYP1A2MEN1KMT2AGRIN1
SCHEMBL29730787 0.81 GRIN1 (0.54) ALDH1A1CYP1A2GRIN1GRIN2AGRIN2B
SCHEMBL13447345 0.81 GRIN1 (0.54) ALDH1A1CYP1A2GRIN1GRIN2AGRIN2B
SCHEMBL6887227 0.78 ALDH1A1 (0.46) ALDH1A1HSD17B10HPGDCYP1A2CYP2D6
SCHEMBL29602661 0.78 OPRM1 (0.53) ALDH1A1HSD17B10HPGDCYP1A2CYP2D6
SCHEMBL171507 0.78 OPRM1 (0.53) ALDH1A1HSD17B10HPGDCYP1A2CYP2D6
SCHEMBL746867 0.78 ALDH1A1 (0.46) ALDH1A1HSD17B10HPGDCYP1A2CYP2D6

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1804791-A1 TETRAHYDRO PYRIDINYL PYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-11 EP claimed
WO-2006049880-A1 TETRAHYDRO PYRIDINYL PYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-05-11 WO claimed
US-20220081441-A1 CYCLOALKYLUREA DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-03-17 US disclosed
EP-3883928-A1 GLP-1R AGONISTS AND USES THEREOF Qilu Regor Therapeutics Inc. (CN) 2021-09-29 EP disclosed
EP-2709451-B1 N-LINKED LACTAM M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2015-12-30 EP disclosed
EP-2709451-B1 N-LINKED LACTAM M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2015-12-30 EP disclosed
US-9206200-B2 N-linked lactam M1 receptor positive allosteric mogulators MERCK SHARP & DOHME CORP. (US) 2015-12-08 US disclosed
US-9206200-B2 N-linked lactam M1 receptor positive allosteric mogulators MERCK SHARP & DOHME CORP. (US) 2015-12-08 US disclosed
US-9206200-B2 N-linked lactam M1 receptor positive allosteric mogulators MERCK SHARP & DOHME CORP. (US) 2015-12-08 US disclosed
US-20150065498-A1 N-LINKED LACTAM M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2015-03-05 US disclosed
US-20150065498-A1 N-LINKED LACTAM M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2015-03-05 US disclosed
WO-2012158475-A1 N-LINKED LACTAM M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2012-11-22 WO disclosed
EP-2515656-A1 AMINOBENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck Sharp & Dohme Corp. (US) 2012-10-31 EP disclosed
US-20120264761-A1 Aminobenzoquinazolinone M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME LLC 2012-10-18 US disclosed
US-20120264761-A1 Aminobenzoquinazolinone M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME LLC 2012-10-18 US disclosed
US-20120264761-A1 Aminobenzoquinazolinone M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME LLC 2012-10-18 US disclosed
WO-2011084371-A1 AMINOBENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 WO disclosed
US-20070135423-A1 E-fluoro-4-(pyridin-2-yl)-piperidine-1-carboxamide derivatives and related compounds which modulate the function of the vanilloid-1 receptor (vr1) for the treatment of pain MERCK SHARP & DOHME LTD. (GB) 2007-06-14 US disclosed
EP-1682141-A1 4-FLUORO-4-(PYRIDIN-2-YL)-PIPERIDINE-1-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS WHICH MODULATE THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) FOR THE TREATMENT OF PAIN MERCK SHARP & DOHME LTD. (GB) 2006-07-26 EP disclosed
WO-2005051390-A1 E-FLUORO-4-(PYRIDIN-2-YL)-PIPERIDINE-1-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS WHICH MODULATE THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) FOR THE TREATMENT OF PAIN MERCK SHARP & DOHME LIMITED (GB) 2005-06-09 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 (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-20150065498-A1 N-LINKED LACTAM M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, OPRM1 ALDH1A1 2997/4885HSD17B10 3648/4885HPGD 2412/4885
US-20120264761-A1 Aminobenzoquinazolinone M1 Receptor Positive Allosteric Modulators CHRM1, OPRL1, MTNR1B ALDH1A1 2379/4885HSD17B10 3692/4885HPGD 3012/4885
US-20220081441-A1 CYCLOALKYLUREA DERIVATIVE HCRTR2, HCRTR1, CRHR2 ALDH1A1 2531/4885HSD17B10 2701/4885HPGD 2437/4885
US-20070135423-A1 E-fluoro-4-(pyridin-2-yl)-piperidine-1-carboxamide derivatives and related compounds which modulate the function of the vanilloid-1 receptor (vr1) for the treatment of pain OPRL1, HVCN1, TRPV1 ALDH1A1 1112/4885HSD17B10 3260/4885HPGD 961/4885

“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.