SCHEMBL6777528

SCHEMBL6777528

CCc1ccc2c(c1)CC1CC2CN(Cc2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
LMNA P02545 3/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 1/20 0.39
S1PR1 P21453 2/20 0.39
S1PR5 Q9H228 2/20 0.39
FUCA1 P04066 2/20 0.38
DPP4 P27487 1/20 0.38
MC4R P32245 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
POLB P06746 1/20 0.36

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
Hydrochloric Acid SCHEMBL6773315 0.99 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3LMNAMAPT
SCHEMBL5996694 0.84 CHRNB2 (0.49) FUCA1DPP4DRD2DRD3
SCHEMBL5995135 0.84 ESR1 (0.53) FUCA1DPP4ESR1ESR2DRD2
SCHEMBL5997232 0.83 CHRNB2 (0.56) SLC6A2SLC6A4SLC6A3LMNAMAPK1
SCHEMBL5997736 0.83 CHRNB2 (0.52) SLC6A2SLC6A4SLC6A3DRD2DRD3
SCHEMBL5995465 0.83 SIGMAR1 (0.47) S1PR1S1PR5FUCA1MC4RDRD2
Hydrochloric Acid SCHEMBL5997163 0.82 CHRNB2 (0.48) FUCA1DPP4DRD2DRD3
Hydrochloric Acid SCHEMBL7137769 0.82 ESR1 (0.52) FUCA1DPP4ESR1ESR2DRD2
Hydrochloric Acid SCHEMBL6814278 0.82 CHRNB2 (0.55) SLC6A2SLC6A4SLC6A3LMNAMAPK1
Hydrochloric Acid SCHEMBL5995210 0.82 CHRNB2 (0.51) SLC6A2SLC6A4SLC6A3DRD2DRD3

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
EP-1076650-B1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER PROD INC (US) 2004-02-04 EP claimed
US-6462035-B1 BINDING TO NEURONAL NICOTINIC ACETYLCHOLINE SPECIFIC RECEPTOR; MODULATING CHOLINERGIC FUNCTION; REDUCING NICOTINE ADDICTION; INFLAMMATORY AND IRRITABLE BOWEL SYNDROME, SPASTIC DYSTONIA, CHRONIC AND ACUTE PAIN, EATING DISORDERS PFIZER INC. 2002-10-08 US claimed
US-20040167149-A1 Aryl fused azapolycyclic compounds PFIZER INC 2004-08-26 US disclosed
US-6706702-B2 FOR THERAPY OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS PFIZER INC. 2004-03-16 US disclosed
US-20030008890-A1 Aryl fused azapolycyclic compounds COE JOTHAM WADSWORTH (US) 2003-01-09 US 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-20030008890-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, NR3C1 SLC6A2 522/4885SLC6A4 348/4885SLC6A3 285/4885
US-20040167149-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, NR3C1 SLC6A2 522/4885SLC6A4 348/4885SLC6A3 285/4885

“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.