SCHEMBL5753704

SCHEMBL5753704

CCCCCCC1C(=O)C2N(C1=O)C2(C)c1ccccc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.39
CNR1 P21554 1/20 0.36
GRM2 Q14416 3/20 0.35
RAB9A P51151 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 2/20 0.34
NPC1 O15118 1/20 0.34
MITF O75030 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
PTGS1 P23219 1/20 0.34
NAPRT Q6XQN6 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
SCHEMBL5755381 0.81 LMNA (0.36) CNR2ALDH1A1CYP3A4GAALMNA
SCHEMBL29489697 0.63 ALDH1A1 (0.73) CNR2CNR1GRM2RAB9AALDH1A1
SCHEMBL5752500 0.62 ALDH1A1 (0.43) CNR2ALDH1A1LMNACYP1A2CYP2C19
SCHEMBL15845072 0.61 PTPN1 (0.44) RAB9AALDH1A1NPC1GAAHPGD
SCHEMBL15844488 0.61 PTPN1 (0.44) RAB9AALDH1A1NPC1GAAHPGD
Hexane SCHEMBL27661181 0.61 CYP3A4 (0.59) CNR2CNR1ALDH1A1CYP3A4L3MBTL1
SCHEMBL1325541 0.61 RAB9A (0.44) RAB9AALDH1A1CYP3A4NPC1GAA
Decylamine SCHEMBL28248156 0.60 DNM1 (0.59) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL9052938 0.60 CDC25A (0.47) CNR2CNR1RAB9AALDH1A1CYP3A4
SCHEMBL8592697 0.59 CDC25A (0.49) CNR2CNR1RAB9AALDH1A1CYP3A4

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 CNR2 100/4885CNR1 31/4885GRM2 1365/4885
US-20030013875-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy OPRM1, OPRK1, OPRD1 CNR2 100/4885CNR1 31/4885GRM2 1365/4885

“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.