SCHEMBL5756445

SCHEMBL5756445

[CH2]C=Cc1cccc(C)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.60
ALDH1A1 P00352 2/20 0.60
NPC1 O15118 2/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
GRM5 P41594 1/20 0.60
GRM4 Q14833 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
KDM4E B2RXH2 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
PKM P14618 1/20 0.60
HPGD P15428 1/20 0.60
TSHR P16473 1/20 0.60
NFKB1 P19838 1/20 0.60
CYP2C19 P33261 1/20 0.60
THPO P40225 1/20 0.60

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
SCHEMBL4712658 0.86 RAB9A (0.76) RAB9AALDH1A1NPC1MEN1KMT2A
SCHEMBL13820472 0.80 RAB9A (0.62) RAB9AALDH1A1NPC1MEN1KMT2A
SCHEMBL9797858 0.79 RAB9A (0.56) RAB9AALDH1A1NPC1MEN1KMT2A
SCHEMBL9797862 0.79 RAB9A (0.56) RAB9AALDH1A1NPC1MEN1KMT2A
SCHEMBL21241331 0.78 ALDH1A1 (0.60) RAB9AALDH1A1NPC1MEN1KMT2A
SCHEMBL9000525 0.78 ALDH1A1 (0.66) RAB9AALDH1A1NPC1MEN1KMT2A
SCHEMBL93618 0.77
Bromide SCHEMBL31442913 0.76 ALDH1A1 (0.52) RAB9AALDH1A1NPC1MEN1KMT2A
SCHEMBL9088028 0.75 ALDH1A1 (0.56) RAB9AALDH1A1NPC1MEN1KMT2A
SCHEMBL4711050 0.75 RAB9A (0.67) RAB9AALDH1A1NPC1MEN1KMT2A

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 13 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 claimed
US-20030013875-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy PFIZER, INC. (US) 2003-01-16 US claimed
US-20020072616-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy PFIZER INC. 2002-06-13 US claimed
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 claimed
EP-1140828-A1 3-AZABICYCLO[3.1.0]HEXANE DERIVATIVES AS OPIATE RECEPTORS LIGANDS Pfizer Limited (GB) 2001-10-10 EP claimed
WO-2000039089-A1 3-AZABICYCLO[3.1.0.] HEXANE DERIVATIVES AS OPIATE RECEPTORS LIGANDS PFIZER LIMITED (GB) 2000-07-06 WO claimed
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 RAB9A 3072/4885ALDH1A1 70/4885NPC1 1282/4885
US-20030013875-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy OPRM1, OPRK1, OPRD1 RAB9A 3072/4885ALDH1A1 70/4885NPC1 1282/4885

“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.