SCHEMBL10192581

SCHEMBL10192581

Cc1cc(N)ccc1N(C)C1CCCN(C)C1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.40
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
NR4A1 P22736 1/20 0.37
KMT2A Q03164 1/20 0.37
PTK2B Q14289 1/20 0.37
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 0.33
DRD1 P21728 1/20 0.33
CHRNB4 P30926 4/20 0.32
CHRNA3 P32297 4/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
EGFR P00533 1/20 0.32
PIK3CD O00329 1/20 0.32
LSS P48449 1/20 0.32

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
SCHEMBL6819299 0.77 KDM4E (0.42) SIGMAR1ALDH1A1MAPTNOS1NOS2
SCHEMBL3746702 0.72 SIGMAR1 (0.42) SIGMAR1ALDH1A1MEN1GAAMAPT
SCHEMBL3744427 0.72 NPC1 (0.43) SIGMAR1ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL3748830 0.71 NPC1 (0.43) SIGMAR1ALDH1A1MEN1KMT2A
SCHEMBL27557002 0.69 KMT2A (0.38) SIGMAR1ALDH1A1KMT2ALSS
SCHEMBL23323163 0.69 CHRNB2 (0.44) SIGMAR1DRD1CHRNB4CHRNA3CHRNB2
SCHEMBL3565009 0.69 CTSL (0.40) ALDH1A1GAAMAPTKMT2APTK2B
SCHEMBL10192579 0.69 KAT2B (0.45) ALDH1A1MAPT
SCHEMBL6812214 0.68 MAPT (0.48) ALDH1A1MEN1GAAMAPTKMT2A
SCHEMBL1265483 0.67 HTR2A (0.43) ALDH1A1NOS1NOS2

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-20140364430-A1 METHODS FOR TREATING SCHIZOPHRENIA AFRAXIS HOLDINGS INC (US) 2014-12-11 US disclosed
US-8674095-B2 Compounds for treating neuropsychiatric conditions AFRAXIS HOLDINGS, INC. (US) 2014-03-18 US disclosed
US-20120184547-A1 METHODS FOR TREATING SCHIZOPHRENIA AFRAXIS, INC. (US) 2012-07-19 US disclosed
US-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS AFRAXIS INC. (US) 2012-02-23 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 (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-20140364430-A1 METHODS FOR TREATING SCHIZOPHRENIA GRIN2A, GRIN2C, GRIN3A SIGMAR1 513/4885ALDH1A1 2796/4885MEN1 4872/4885
US-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS PAK2, PAK5, PAK6 SIGMAR1 2239/4885ALDH1A1 2082/4885MEN1 3651/4885
US-20120184547-A1 METHODS FOR TREATING SCHIZOPHRENIA PAK2, PAK3, PAK4 SIGMAR1 1137/4885ALDH1A1 2121/4885MEN1 4866/4885

“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.