SCHEMBL1603648

SCHEMBL1603648

O=C1c2ccccc2[C]2CCCN21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
PKM P14618 2/20 0.39
ALDH1A1 P00352 5/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
MC4R P32245 1/20 0.37
POLB P06746 1/20 0.36
BCAT2 O15382 1/20 0.36
MAPK1 P28482 1/20 0.36
APAF1 O14727 1/20 0.36
TDP2 O95551 1/20 0.36
NSD2 O96028 1/20 0.36
HKDC1 Q2TB90 1/20 0.36

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
SCHEMBL12202091 0.74 NPC1 (0.45) CES1TSHRSMN1; SMN2NPC1RAB9A
SCHEMBL12202097 0.72 LMNA (0.41) CES1TSHRSMN1; SMN2NPC1RAB9A
SCHEMBL12228324 0.71 TSHR (0.39) CES1TSHRSMN1; SMN2NPC1RAB9A
SCHEMBL2516651 0.71 POLB (0.44) CES1TSHRSMN1; SMN2NPC1RAB9A
SCHEMBL24429208 0.70 NPC1 (0.48) NPC1RAB9APKMMAPTPOLB
SCHEMBL1115811 0.69 USP2 (0.41) CES1TSHRSMN1; SMN2NPC1RAB9A
SCHEMBL14821911 0.65 SRD5A1 (0.44) CES1TSHRNPC1RAB9APKM
SCHEMBL12202106 0.65 NPC1 (0.47) TSHRSMN1; SMN2NPC1RAB9APKM
SCHEMBL12228830 0.64 NPC1 (0.39) TSHRNPC1RAB9APKMALDH1A1
SCHEMBL30595375 0.64 POLB (0.50) NPC1PKMALDH1A1MAPTHPGD

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-7919487-B2 Heteroaryl compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2011-04-05 US claimed
US-20060122156-A1 Heteroaryl compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-06-08 US claimed
WO-2006053109-A1 HETEROARYL COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-05-18 WO claimed
US-7919487-B2 Heteroaryl compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2011-04-05 US disclosed
US-20060122156-A1 Heteroaryl compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-06-08 US disclosed
WO-2006053109-A1 HETEROARYL COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-05-18 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-20060122156-A1 Heteroaryl compounds IL2, CCL11, IL4 CES1 2137/4885TSHR 3956/4885SMN1; SMN2 4845/4885

“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.