SCHEMBL5756784

SCHEMBL5756784

Cc1cccc(C=CC(=O)O)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.58
HDAC6 Q9UBN7 3/20 0.58
ALDH1A1 P00352 2/20 0.58
RAB9A P51151 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
CYP2C19 P33261 2/20 0.58
NPC1 O15118 1/20 0.58
GRM5 P41594 1/20 0.58
GRM4 Q14833 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
MEN1 O00255 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
PKM P14618 1/20 0.58
HPGD P15428 1/20 0.58
TSHR P16473 1/20 0.58
NFKB1 P19838 1/20 0.58
THPO P40225 1/20 0.58
KMT2A Q03164 1/20 0.58

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
SCHEMBL5756780 1.00 KDM4E (0.58) KDM4EHDAC6ALDH1A1RAB9ASMN1; SMN2
SCHEMBL10991204 0.80 ALDH1A1 (0.53) KDM4EHDAC6ALDH1A1RAB9ASMN1; SMN2
SCHEMBL4712658 0.80 RAB9A (0.76) KDM4EHDAC6ALDH1A1RAB9ASMN1; SMN2
SCHEMBL1580114 0.79 KDM4E (0.54) KDM4EHDAC6RAB9ANPSR1PKM
SCHEMBL1580113 0.79 KDM4E (0.54) KDM4EHDAC6RAB9ANPSR1PKM
SCHEMBL2302954 0.78 CA12 (0.50) KDM4EHDAC6ALDH1A1RAB9ASMN1; SMN2
SCHEMBL2302950 0.78 CA12 (0.50) KDM4EHDAC6ALDH1A1RAB9ASMN1; SMN2
SCHEMBL9756857 0.78 KDM4E (0.53) KDM4EHDAC6RAB9ANPSR1CYP3A4
SCHEMBL22776708 0.78 KDM4E (0.53) KDM4EHDAC6ALDH1A1RAB9ASMN1; SMN2
SCHEMBL9757025 0.78 KDM4E (0.53) KDM4EHDAC6RAB9ANPSR1CYP3A4

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 9 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
US-5039684-A Absorption when administered orally VALEAS S. P. A. (IT) 1991-08-13 US disclosed
EP-0384450-A1 Tetrazole amide derivatives of heterocyclic alkenyl acids and their use as antiallergic substances VALEAS S.p.A. INDUSTRIA CHIMICA E FARMACEUTICA (IT) 1990-08-29 EP 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 KDM4E 3058/4885HDAC6 1772/4885ALDH1A1 70/4885
US-20030013875-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy OPRM1, OPRK1, OPRD1 KDM4E 3058/4885HDAC6 1772/4885ALDH1A1 70/4885

“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.