SCHEMBL3949876

SCHEMBL3949876

c1ccc(Cc2nnc(C3CCNCC3)[nH]2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.52
GABRB2 P47870 1/20 0.52
HTR1A P08908 2/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
GBA1 P04062 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
SLC18A3 Q16572 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
HRH1 P35367 2/20 0.44
HTR2C P28335 5/20 0.44
HPGDS O60760 1/20 0.42
GAA P10253 1/20 0.41
DAO P14920 1/20 0.41
HTR6 P50406 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
Tert-Butyl Formate SCHEMBL27772583 0.85 GABRA1 (0.41) GABRA1GABRB2HTR1ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL31583308 0.84 HTR6 (0.46) GABRA1GABRB2SLC6A2SLC6A4SLC6A3
SCHEMBL2755238 0.78 SLC6A2 (0.59) HTR1ASLC6A2SLC6A4SLC6A3SLC18A3
Hydrochloric Acid SCHEMBL240186 0.77 SLC6A2 (0.58) HTR1ASLC6A2SLC6A4SLC6A3SLC18A3
SCHEMBL27772578 0.76 SMO (0.42) GABRA1GABRB2HPGDSGAA
SCHEMBL5765721 0.76 CCR5 (0.45) GABRA1GABRB2HTR1ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL7664777 0.75 GABRA1 (0.46) GABRA1GABRB2HTR1ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL5762628 0.75 GABRA1 (0.46) GABRA1GABRB2HTR1ASLC6A2SLC6A4
SCHEMBL3941345 0.74 HPGDS (0.50) GABRA1GABRB2GABRG2GABRB3SLC18A3
SCHEMBL28239703 0.73 ADORA2A (0.33) GABRA1GABRB2SLC18A3SIGMAR1HTR2C

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-20110059981-A9 New Pyridine Analogues V ASTRAZENECA AB (SE) 2011-03-10 US disclosed
US-20090318464-A1 New Pyridine Analogues V ASTRAZENECA AB (SE) 2009-12-24 US disclosed
CN-101511815-A New pyridine analogues ASTRAZENECA AB (SE) 2009-08-19 CN disclosed
EP-2041115-A1 NEW PYRIDINE ANALOGUES AstraZeneca AB (SE) 2009-04-01 EP disclosed
US-20080032992-A1 New Pyridine Analogues V ASTRAZENECA AB (SE) 2008-02-07 US disclosed
WO-2008004942-A1 NEW PYRIDINE ANALOGUES ASTRAZENECA AB (SE) 2008-01-10 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 (3 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-20090318464-A1 New Pyridine Analogues V P2RY12, P2RY11, P2RY13 GABRA1 2164/4885GABRB2 2423/4885HTR1A 267/4885
US-20080032992-A1 New Pyridine Analogues V P2RY12, P2RY11, P2RY4 GABRA1 1322/4885GABRB2 2169/4885HTR1A 228/4885
US-20110059981-A9 New Pyridine Analogues V P2RY12, P2RY11, P2RY13 GABRA1 2164/4885GABRB2 2423/4885HTR1A 267/4885

“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.