SCHEMBL5755049

SCHEMBL5755049

CCCCCCN1CC2C(C1)C2(CCC)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 1/20 0.41
CNR1 P21554 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
KDM1A O60341 1/20 0.40
OPRM1 P35372 4/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
KCNH2 Q12809 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
XBP1 P17861 1/20 0.39
UBE2M P61081 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.37
CACNA1F O60840 1/20 0.37

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
SCHEMBL5754109 0.90 ALDH1A1 (0.40) NPSR1ALDH1A1MAPTKDM1AOPRM1
SCHEMBL5758740 0.90 KDM1A (0.42) NPSR1LMNACNR1HTTSMN1; SMN2
SCHEMBL5754917 0.89 HTT (0.41) NPSR1LMNACNR1HTTSMN1; SMN2
SCHEMBL5753482 0.85 ALDH1A1 (0.40) NPSR1LMNACNR1HTTSMN1; SMN2
SCHEMBL5755872 0.84 ALDH1A1 (0.42) NPSR1LMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL5756143 0.83 MAPT (0.40) NPSR1LMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL5753298 0.81 OPRM1 (0.40) OPRM1OPRD1OPRK1KCNH2
SCHEMBL5753558 0.80 CNR2 (0.43) NPSR1LMNACNR1HTTSMN1; SMN2
SCHEMBL5754361 0.77 OPRM1 (0.64) OPRM1OPRD1OPRK1KCNH2
SCHEMBL5755821 0.77 KDM1A (0.37) NPSR1LMNACNR1HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140828-B1 3-AZABICYCLO¬3.1.0|HEXANE DERIVATIVES AS OPIATE RECEPTORS LIGANDS PFIZER LTD (GB) 2006-08-09 EP disclosed
US-7049444-B2 3-azabicyclo[3.1.0]hexane derivatives useful in therapy PFIZER INC. (US) 2006-05-23 US disclosed
US-20030013875-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy PFIZER, INC. (US) 2003-01-16 US disclosed
US-20020072616-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy PFIZER INC. 2002-06-13 US disclosed
US-6313312-B1 OPIATE RECEPTOR BINDERS; ALLERGIC DERMATITIS, PRURITUS; IRRITABLE BOWEL SYNDROME, GASTROINTESTINAL AND SKIN DISORDERS; VETERINARY MEDICINE; ANTI-ITCHING PFIZER INC 2001-11-06 US disclosed
EP-1140828-A1 3-AZABICYCLO[3.1.0]HEXANE DERIVATIVES AS OPIATE RECEPTORS LIGANDS Pfizer Limited (GB) 2001-10-10 EP disclosed
WO-2000039089-A1 3-AZABICYCLO[3.1.0.] HEXANE DERIVATIVES AS OPIATE RECEPTORS LIGANDS PFIZER LIMITED (GB) 2000-07-06 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-20020072616-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy OPRM1, OPRK1, OPRD1 NPSR1 169/4885LMNA 3931/4885CNR1 31/4885
US-20030013875-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy OPRM1, OPRK1, OPRD1 NPSR1 169/4885LMNA 3931/4885CNR1 31/4885

“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.