SCHEMBL5336330

SCHEMBL5336330

CO/N=C(\C)c1ccccc1N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
AKR1C3 P42330 2/20 0.43
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 4/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
KMT2A Q03164 1/20 0.41
PKM P14618 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
BRPF1 P55201 1/20 0.41
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
SLC6A5 Q9Y345 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
SCHEMBL5336336 1.00 TSHR (0.43) TSHRAKR1C3ALDH1A1SMN1; SMN2POLB
SCHEMBL1286677 0.76 ALDH1A1 (0.55) AKR1C3ALDH1A1POLBMAPTMEN1
SCHEMBL13331412 0.76 CYP2A13 (0.52) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL7743758 0.76 GAA (0.59) TSHRALDH1A1POLBMAPTMEN1
SCHEMBL6811647 0.74 MAPT (0.55) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL6811645 0.74 MAPT (0.55) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL10694502 0.73 ALOX15 (0.45) AKR1C3ALDH1A1SMN1; SMN2POLBMAPT
SCHEMBL28393741 0.73 MAPT (0.53) TSHRAKR1C3ALDH1A1SMN1; SMN2POLB
SCHEMBL29034260 0.71 ALDH1A1 (0.47) TSHRAKR1C3ALDH1A1SMN1; SMN2POLB
SCHEMBL29816440 0.71 ALDH1A1 (0.57) AKR1C3ALDH1A1SMN1; SMN2POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070232686-A1 Cyanoamidine P2X7 Antagonists for the Treatment of Pain CARROLL WILLIAM A 2007-10-04 US disclosed
US-7241776-B2 Cyanoamidine P2X7 antagonists for the treatment of pain ABBOTT LABORATORIES (US) 2007-07-10 US disclosed
WO-2006017406-A1 CYANOAMIDINE P2X7 ANTAGONISTS FOR THE TREATMENT OF PAIN ABBOTT LABORATORIES (US) 2006-02-16 WO disclosed
US-20060025614-A1 Cyanoamidine P2X7 antagonists for the treatment of pain ABBVIE INC. 2006-02-02 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-20060025614-A1 Cyanoamidine P2X7 antagonists for the treatment of pain P2RX2, P2RX1, P2RX7 TSHR 1763/4885AKR1C3 2248/4885ALDH1A1 3848/4885
US-20070232686-A1 Cyanoamidine P2X7 Antagonists for the Treatment of Pain P2RX2, P2RX1, P2RX7 TSHR 1763/4885AKR1C3 2248/4885ALDH1A1 3848/4885

“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.