SCHEMBL1742844

SCHEMBL1742844

Cc1c(C(N)=O)cccc1N1CCNCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 4/20 0.59
NPC1 O15118 1/20 0.50
HTR1A P08908 4/20 0.49
CYP1A2 P05177 3/20 0.49
CYP2D6 P10635 3/20 0.49
HTR3A P46098 3/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
HTR6 P50406 4/20 0.46
DRD2 P14416 2/20 0.46
HTR2A P28223 2/20 0.46
DRD3 P35462 2/20 0.46
DRD4 P21917 1/20 0.46
HTR2C P28335 1/20 0.46
HTR7 P34969 2/20 0.45
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
NCF1 P14598 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44

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
SCHEMBL27675711 0.86 ADRB1 (0.49) ADRB1NPC1HTR1ACYP1A2CYP2D6
SCHEMBL28793930 0.86 NPC1 (0.63) ADRB1NPC1TSHRHSD17B10
SCHEMBL3951660 0.85 ADRB1 (0.59) ADRB1HTR1ACYP1A2CYP2D6HTR3A
Hydrochloric Acid SCHEMBL27844227 0.85 ADRB1 (0.47) ADRB1NPC1HTR1ACYP1A2CYP2D6
Hydrochloric Acid SCHEMBL31349206 0.85 ADRB1 (0.47) ADRB1NPC1HTR1ACYP1A2CYP2D6
SCHEMBL20587384 0.84 NPC1 (0.71) NPC1TSHRHSD17B10
SCHEMBL4062291 0.84 ADRB1 (0.55) ADRB1HTR1ACYP1A2CYP2D6HTR3A
SCHEMBL1450313 0.84 NPC1 (0.70) ADRB1NPC1HTR1ACYP1A2CYP2D6
SCHEMBL3436295 0.83 NPC1 (0.51) NPC1HTR1ADRD2HTR2ADRD3
SCHEMBL28713189 0.83 NPC1 (0.51) ADRB1NPC1HTR1ACYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2507229-A1 SULFONAMIDE DERIVATIVES AS BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES Abbott Laboratories (US) 2012-10-10 EP claimed
EP-2507211-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbott Laboratories (US) 2012-10-10 EP claimed
EP-2387560-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbott Laboratories (US) 2011-11-23 EP claimed
US-8042193-B1 Systems and methods for controlling data access by use of a universal anonymous identifier Albright Associates (US) 2011-10-18 US claimed
WO-2011068560-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-06-09 WO claimed
WO-2011068561-A1 SULFONAMIDE DERIVATIVES AS BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-06-09 WO claimed
WO-2010083441-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-07-22 WO claimed
US-8426446-B2 Acrylamide derivative and use thereof in manufacture of medicament BEIJING SHIQIAO BIOPHARM CO. LTD. (CN) 2013-04-23 US disclosed
EP-2507229-A1 SULFONAMIDE DERIVATIVES AS BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES Abbott Laboratories (US) 2012-10-10 EP disclosed
EP-2507211-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbott Laboratories (US) 2012-10-10 EP disclosed
US-20120116075-A1 Acrylamide Derivative And Use Thereof In Manufacture Of Medicament BEIJING JIASHILIANBO PHARM SCI & TECH CO. LTD 2012-05-10 US disclosed
EP-2387560-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbott Laboratories (US) 2011-11-23 EP disclosed
US-8042193-B1 Systems and methods for controlling data access by use of a universal anonymous identifier Albright Associates (US) 2011-10-18 US disclosed
WO-2011068560-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-06-09 WO disclosed
WO-2011068561-A1 SULFONAMIDE DERIVATIVES AS BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-06-09 WO disclosed
WO-2010083441-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-07-22 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 (1 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-20120116075-A1 Acrylamide Derivative And Use Thereof In Manufacture Of Medicament ABL1, ABL2, BCR ADRB1 2244/4885NPC1 4708/4885HTR1A 1538/4885

“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.