SCHEMBL1366017

SCHEMBL1366017

CC(C)N1CCC(NC(=O)c2cnc(-c3ccccc3)nc2N)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.53
ADORA1 P30542 1/20 0.53
PTPN11 Q06124 1/20 0.53
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
HTR4 Q13639 1/20 0.49
ALDH1A1 P00352 2/20 0.48
GABRA5 P31644 1/20 0.47
ACVR1 Q04771 3/20 0.47
BMPR1B O00238 2/20 0.47
BMPR1A P36894 2/20 0.47
TGFBR1 P36897 2/20 0.47
ACVRL1 P37023 2/20 0.47
PARP1 P09874 1/20 0.47
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
DYRK1A Q13627 2/20 0.45

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
SCHEMBL1364727 0.88 ADORA2A (0.49) ADORA2AADORA1CYP3A4CYP2D6HTR4
SCHEMBL1367559 0.88 DGAT1 (0.51) ADORA2AADORA1CYP3A4CYP2D6HTR4
SCHEMBL12141988 0.88 ATR (0.55) ALDH1A1GABRA5ACVR1BMPR1BBMPR1A
SCHEMBL14094614 0.87 CKS1B (0.47) PTPN11ALDH1A1ACVR1BMPR1BBMPR1A
SCHEMBL1366693 0.87 PARP1 (0.49) ADORA2AADORA1PTPN11HTR4ALDH1A1
SCHEMBL14094611 0.85 ALDH1A1 (0.49) PTPN11ALDH1A1ACVR1BMPR1BBMPR1A
SCHEMBL1366327 0.83 GABRA5 (0.57) ADORA2AADORA1CYP3A4CYP2D6HTR4
SCHEMBL1365048 0.79 DRD4 (0.60) CYP2D6ALDH1A1PARP1MAPTRAB9A
SCHEMBL1364526 0.78 SLC6A12 (0.56) CYP3A4CYP2D6DRD4
SCHEMBL1364923 0.76 DGAT1 (0.53) ALDH1A1GABRA5DYRK1AATRAXL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067589-B2 Heterocyclic compounds useful in treating diseases and conditions PFIZER INC (US) 2011-11-29 US disclosed
EP-2132196-A1 NICOTINAMIDE DERIVATIVES AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES Pfizer Products Inc. (US) 2009-12-16 EP disclosed
US-20090281125-A1 Heterocyclic Compounds Useful in Treating Diseases and Conditions BLAKE TANISHA D 2009-11-12 US disclosed
US-7582643-B2 Heterocyclic compounds useful in treating diseases and conditions PFIZER INC (US) 2009-09-01 US disclosed
WO-2008104869-A1 NICOTINAMIDE DERIVATIVES AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES PFIZER PRODUCTS INC. (US) 2008-09-04 WO disclosed
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions BLAKE TANISHA D 2008-08-28 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 (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-20090281125-A1 Heterocyclic Compounds Useful in Treating Diseases and Conditions CYP11B2, CYP11B1, LTC4S ADORA2A 2744/4885ADORA1 2120/4885PTPN11 3825/4885
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions CYP11B2, CYP11B1, LTC4S ADORA2A 2744/4885ADORA1 2120/4885PTPN11 3825/4885

“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.