SCHEMBL684271

SCHEMBL684271

CCN(CC)CCn1c(-c2ccc(Cl)cc2)nc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
RAB9A P51151 1/20 0.51
ATM Q13315 1/20 0.51
MAPT P10636 4/20 0.50
ALDH1A1 P00352 4/20 0.50
NPSR1 Q6W5P4 4/20 0.50
MAPK1 P28482 2/20 0.50
MAOB P27338 7/20 0.49
MAOA P21397 6/20 0.49
HTT P42858 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA2B P29275 1/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
Hydrochloric Acid SCHEMBL11384998 0.99 TSHR (0.53) TSHRRAB9AATMMAPTALDH1A1
SCHEMBL683888 0.91 SMN1; SMN2 (0.51) TSHRMAPTALDH1A1NPSR1MAPK1
Hydrochloric Acid SCHEMBL11381649 0.90 SMN1; SMN2 (0.50) TSHRMAPTALDH1A1NPSR1MAPK1
SCHEMBL683962 0.88 ADORA2B (0.62) TSHRALDH1A1NPSR1MAOBHTT
SCHEMBL682759 0.88 SMN1; SMN2 (0.53) TSHRATMMAPTALDH1A1NPSR1
Hydrochloric Acid SCHEMBL11388923 0.87 ADORA2B (0.61) TSHRALDH1A1NPSR1MAOBHTT
Hydrochloric Acid SCHEMBL11382754 0.87 SMN1; SMN2 (0.52) TSHRATMMAPTALDH1A1NPSR1
SCHEMBL683542 0.87 NCOA3 (0.54) TSHRMAPTALDH1A1MAOBHTT
SCHEMBL682765 0.86 MAOB (0.49) ALDH1A1MAOBMAOAADORA2AADORA2B
Hydrochloric Acid SCHEMBL11381068 0.86 NCOA3 (0.53) TSHRMAPTALDH1A1MAOBHTT

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-4299832-A Substituted theophylline compounds FISONS LIMITED (GB) 1981-11-10 US claimed
EP-0011399-A1 N-substituted theophyllines, processes for their preparation and pharmaceutical compositions containing them FISONS plc (GB) 1980-05-28 EP claimed
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 US disclosed
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 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 (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-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF TSHR 1873/4885RAB9A 2603/4885ATM 3825/4885

“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.