SCHEMBL3522990

SCHEMBL3522990

c1ccc2c(c1)CCC(C1CCCC1)N2

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
MTNR1A P48039 3/20 0.42
PRCP P42785 1/20 0.40
NOS2 P35228 2/20 0.39
SMYD3 Q9H7B4 1/20 0.38
MAPT P10636 2/20 0.38
PLAU P00749 1/20 0.37
NPC1 O15118 1/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
GAA P10253 1/20 0.36
SLC18A3 Q16572 1/20 0.34

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
SCHEMBL3521800 0.98 LMNA (0.44) LMNATSHRMTNR1APRCPNOS2
SCHEMBL21400551 0.95 LMNA (0.47) LMNATSHRMTNR1APRCPNOS2
SCHEMBL666973 0.87 MTNR1A (0.40) LMNATSHRMTNR1ANOS2SMYD3
SCHEMBL19774297 0.86 MTNR1A (0.47) LMNATSHRMTNR1ASMYD3MAPT
SCHEMBL5208272 0.81 TSHR (0.49) LMNATSHRPRCPNOS2MAPT
SCHEMBL5208279 0.81 TSHR (0.49) LMNATSHRPRCPNOS2MAPT
SCHEMBL5213527 0.81 TSHR (0.49) LMNATSHRPRCPNOS2MAPT
SCHEMBL26075115 0.80 TSHR (0.47) LMNATSHRPRCPNOS2MAPT
SCHEMBL667641 0.79 MTNR1A (0.40) LMNATSHRMTNR1ASMYD3MAPT
SCHEMBL5880335 0.78 TSHR (0.45) LMNATSHRPRCPNOS2SMYD3

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
US-7772227-B2 Tricyclic 1-[(indol-3-yl)carbonyl]piperazine derivatives as cannabinoid CB1 receptor agonists N.V. ORGANON (NL) 2010-08-10 US disclosed
US-20070088025-A1 such as (R)-3-Cyclohexyl-2,3-dihydro-6-(4-ethylpiperazin-1-ylcarbonyl)pyrrolo[1,2,3-de]-1,4-benzoxazine hydrochloride salt, used as analgesics for the treatment of post-operative pain, chronic pain neuropathic pain, cancer pain and spasticity associated with multiple sclerosis AKZO NOBEL N.V. (NL) 2007-04-19 US disclosed
EP-1696930-B1 TRICYCLIC 1-((3-INDOL-3-YL)CARBONYL)PIPERAZINE DERIVATIVES AS CANNABINOID CB1 RECEPTOR AGONISTS ORGANON NV (NL) 2007-04-11 EP disclosed
EP-1696930-A1 TRICYCLIC 1-((3-INDOL-3-YL)CARBONYL)PIPERAZINE DERIVATIVES AS CANNABINOID CB1 RECEPTOR AGONISTS Akzo Nobel N.V. (NL) 2006-09-06 EP disclosed
WO-2005058327-A1 TRICYCLIC 1-[(3-INDOL-3-YL)CARBONYL] PIPERAZINE DERIVATIVES AS CANNABINOID CB1 RECEPTOR AGONISTS AKZO NOBEL N.V. (NL) 2005-06-30 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-20070088025-A1 such as (R)-3-Cyclohexyl-2,3-dihydro-6-(4-ethylpiperazin-1-ylcarbonyl)pyrrolo[1,2,3-de]-1,4-benzoxazine hydrochloride salt, used as analgesics for the treatment of post-operative pain, chronic pain neuropathic pain, cancer pain and spasticity associated with multiple sclerosis OPRD1, OPRK1, OPRM1 LMNA 2956/4885TSHR 883/4885MTNR1A 1279/4885

“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.