SCHEMBL7910011

SCHEMBL7910011

CCCN1CCN(CCS(C)(=O)=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.45
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
SIGMAR1 Q99720 3/20 0.38
PKM P14618 1/20 0.36
SMO Q99835 1/20 0.35
DRD3 P35462 2/20 0.33
POLB P06746 1/20 0.33
HTR6 P50406 1/20 0.33

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
SCHEMBL7351993 0.91
SCHEMBL16190266 0.86 POLB (0.35) DRD2KMT2ASIGMAR1PKMSMO
SCHEMBL12015831 0.84 PAOX (0.39) DRD2SIGMAR1SMO
SCHEMBL12015832 0.81 CARM1 (0.41) KMT2ASIGMAR1POLB
SCHEMBL24911710 0.80 ALOX15 (0.39) DRD2SMO
SCHEMBL11966128 0.80 DRD2 (0.40) DRD2KMT2AMEN1SIGMAR1PKM
SCHEMBL22878436 0.80 SMO (0.34) DRD2SMO
SCHEMBL7904797 0.80 ALDH1A1 (0.44) KMT2AMEN1PKMSMOPOLB
SCHEMBL17284206 0.80 GNAI3 (0.44) DRD2SMO
SCHEMBL13668902 0.80 SMO (0.34) DRD2KMT2AMEN1SMO

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-20110257100-A1 Inhibitors of Protein Tyrosine Kinase Activity METHYLGENE INC. (CA) 2011-10-20 US disclosed
US-20100261706-A1 SUBSTITUTED TETRACYCLIC 1H-INDENO [1,2-B]PYRIDINE-2(5H)-ONE ANALOGS THEREOF AND USES THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-10-14 US disclosed
US-20100261706-A1 SUBSTITUTED TETRACYCLIC 1H-INDENO [1,2-B]PYRIDINE-2(5H)-ONE ANALOGS THEREOF AND USES THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-10-14 US disclosed
WO-2010077663-A2 SUBSTITUTED TETRACYCLIC 1H-INDENO (1,2-B) PYRIDINE-2 (5H)-ONE ANALOGS THEREOF AND USES THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-07-08 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 (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-20110257100-A1 Inhibitors of Protein Tyrosine Kinase Activity ERBB2, ABL1, FLT1 DRD2 4671/4885KMT2A 2026/4885MEN1 3345/4885
US-20100261706-A1 SUBSTITUTED TETRACYCLIC 1H-INDENO [1,2-B]PYRIDINE-2(5H)-ONE ANALOGS THEREOF AND USES THEREOF TNNI3, TNNT2, ALDH1A2 DRD2 2481/4885KMT2A 4334/4885MEN1 3033/4885

“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.