SCHEMBL5646802

SCHEMBL5646802

c1ccc2c(c1)CN(CC1CCNCC1)C2

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.47
NAMPT P43490 2/20 0.46
CACNA2D1 P54289 1/20 0.46
CACNA1B Q00975 1/20 0.46
CACNB1 Q02641 1/20 0.46
PARP1 P09874 1/20 0.44
KDM1A O60341 2/20 0.39
KDM1B Q8NB78 1/20 0.39
HTR2C P28335 2/20 0.39
SLC6A4 P31645 1/20 0.39
HTR2A P28223 1/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
SIGMAR1 Q99720 2/20 0.38
SLC18A3 Q16572 1/20 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 SCHEMBL9633666 0.98 GBA1 (0.46) GBA1NAMPTCACNA2D1CACNA1BCACNB1
SCHEMBL2793079 0.89 DRD2 (0.50) PRMT5WDR77
Hydrochloric Acid SCHEMBL1625872 0.87 DRD2 (0.49) PRMT5WDR77
Hydrochloric Acid SCHEMBL10415650 0.87 DRD2 (0.49) PRMT5WDR77
SCHEMBL8644399 0.80 SIGMAR1 (0.44) GBA1NAMPTCACNA2D1CACNA1BCACNB1
SCHEMBL5687764 0.76 ACHE (0.65) HTR2CSLC6A4HTR2A
SCHEMBL38653916 0.74 DRD2 (0.59) PRMT5WDR77
SCHEMBL7826648 0.74 HTR2C (0.47) GBA1CACNA1BHTR2CSLC6A4HTR2A
SCHEMBL17814222 0.73 PARP1 (0.58) PARP1HTR2A
Hydrochloric Acid SCHEMBL5251902 0.72 PARP1 (0.57) PARP1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015086693-A1 PYRAZOLOPYRIMIDIN-2-YL DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2015-06-18 WO disclosed
US-7279470-B2 Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK A/S (DK) 2007-10-09 US disclosed
US-7067517-B2 Use of compounds for decreasing activity of hormone-sensitive lipase NERO NORDISK A/S (DK) 2006-06-27 US disclosed
EP-1458374-A2 COMPOUNDS AND USES THEREOF FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-09-22 EP disclosed
US-20030166644-A1 Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK A/S (DK) 2003-09-04 US disclosed
US-20030166690-A1 Use of compounds for decreasing activity of hormone-sensitive NOVO NORDISK A/S (DK) 2003-09-04 US disclosed
WO-2003051841-A2 COMPOUNDS AND USES THEREOF FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2003-06-26 WO disclosed
EP-0351283-A1 2-[(4-Piperidinyl)methyl]-2,3-dihydro-1H-isoindole and 2,3,4,5-tetrahydro-1H-benzazepine derivatives, their preparation and therapeutical use SYNTHELABO (FR) 1990-01-17 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 (2 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-20030166644-A1 Compounds and uses thereof for decreasing activity of hormone-sensitive lipase LIPE, PNLIP, LPL GBA1 451/4885NAMPT 1236/4885CACNA2D1 4655/4885
US-20030166690-A1 Use of compounds for decreasing activity of hormone-sensitive LIPE, PNLIP, LPL GBA1 474/4885NAMPT 1483/4885CACNA2D1 4355/4885

“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.