SCHEMBL2549348

SCHEMBL2549348

NNC(=O)C1CCC(c2ccccn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
TP53 P04637 1/20 0.42
PKM P14618 1/20 0.42
ABL1 P00519 1/20 0.41
DRD4 P21917 5/20 0.41
ADORA3 P0DMS8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ADORA2A P29274 2/20 0.41
ADORA2B P29275 2/20 0.41

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
SCHEMBL2549343 1.00 RAB9A (0.46) RAB9ANPC1LMNASMN1; SMN2ALDH1A1
SCHEMBL16803154 0.83 KMT2A (0.47) RAB9ANPC1LMNASMN1; SMN2ALDH1A1
SCHEMBL30131210 0.83 KMT2A (0.47) RAB9ANPC1LMNASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL30562858 0.81 KMT2A (0.46) RAB9ANPC1LMNASMN1; SMN2ALDH1A1
SCHEMBL22999404 0.81 NPC1 (0.51) RAB9ANPC1LMNASMN1; SMN2HDAC3
SCHEMBL2565039 0.81 P2RX7 (0.44) RAB9ANPC1LMNASMN1; SMN2ALDH1A1
SCHEMBL2563797 0.81 P2RX7 (0.44) RAB9ANPC1LMNASMN1; SMN2HDAC3
Carbamic Acid SCHEMBL10474895 0.80 ALDH1A1 (0.46) RAB9ANPC1LMNAALDH1A1HDAC3
SCHEMBL16803142 0.80 DRD4 (0.44) RAB9ANPC1LMNASMN1; SMN2ALDH1A1
SCHEMBL2542233 0.79 MAPT (0.43) SMN1; SMN2HDAC3ABL1ADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2560975-B1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2015-06-17 EP disclosed
US-8492376-B2 Heteroaryl-cyclohexyl-tetraazabenzo[e]azulenes HOFFMANN-LA ROCHE INC. (US) 2013-07-23 US disclosed
EP-2560975-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2013-02-27 EP disclosed
WO-2011131596-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-10-27 WO disclosed
US-20110263578-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN-LA ROCHE, INC. 2011-10-27 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-20110263578-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AVPR1A, AVPR1B, OXTR RAB9A 634/4885NPC1 2056/4885LMNA 4034/4885

“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.