SCHEMBL3464617

SCHEMBL3464617

c1ccc(CN2CC3(CCCC3)C2)cc1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 12/20 0.61
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
CYP3A4 P08684 7/20 0.58
TSHR P16473 5/20 0.58
USP2 O75604 2/20 0.58
CYP1A2 P05177 2/20 0.55
SIGMAR1 Q99720 1/20 0.54
GAA P10253 1/20 0.53
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL31230966 0.98 CYP2D6 (0.59) CYP2D6MEN1KMT2ACYP3A4TSHR
SCHEMBL31230946 0.96 CYP2D6 (0.61) CYP2D6MEN1KMT2ACYP3A4TSHR
SCHEMBL24798656 0.85 CYP2D6 (0.68) CYP2D6MEN1KMT2ACYP3A4TSHR
SCHEMBL24798927 0.85 CYP2D6 (0.68) CYP2D6MEN1KMT2ACYP3A4TSHR
SCHEMBL4875408 0.85 CYP2D6 (0.76) CYP2D6MEN1KMT2ACYP3A4TSHR
SCHEMBL5243003 0.84 CYP2D6 (0.67) CYP2D6MEN1KMT2ACYP3A4TSHR
SCHEMBL31230967 0.83 CYP2D6 (0.55) CYP2D6MEN1KMT2ACYP3A4TSHR
SCHEMBL6749044 0.82 CYP2D6 (0.57) CYP2D6MEN1KMT2ACYP3A4TSHR
Hydrochloric Acid SCHEMBL31717590 0.82 CYP2D6 (0.72) CYP2D6MEN1KMT2ACYP3A4TSHR
SCHEMBL18712904 0.82 CYP2D6 (0.66) CYP2D6MEN1KMT2ACYP3A4TSHR

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
US-20100240689-A1 N-ARYL AZASPIROALKENE AND AZASPIROALKANE COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF TARGACEPT, INC. (US) 2010-09-23 US disclosed
US-7754708-B2 N-aryl azaspiroalkene and azaspiroalkane compounds and methods of preparation and use thereof TARGACEPT, INC. (US) 2010-07-13 US disclosed
US-20080242689-A1 Analgesics, central nervous system disorders, obesity, side effect reduction BHATTI BALWINDER 2008-10-02 US disclosed
US-7384929-B2 N-aryl azaspiroalkene and azaspiroalkane compounds and methods of preparation and use thereof TARGACEPT, INC. (US) 2008-06-10 US disclosed
EP-1802601-A1 AZASPIROALKENE AND AZAPIROALKANE COMPOUNDS WITH NICOTINIC CHOLINERGIC RECEPTOR ACTIVITY Targacept, Inc. (US) 2007-07-04 EP disclosed
US-20060074067-A1 N-aryl azaspiroalkene and azaspiroalkane compounds and methods of preparation and use thereof BHATTI BALWINDER 2006-04-06 US disclosed
WO-2006034089-A1 AZASPIROALKENE AND AZASPIROALKANE COMPOUNDS WITH NICOTINIC CHOLINERGIC RECEPTOR ACTIVITY TARGACEPT, INC. (US) 2006-03-30 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 (3 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-20100240689-A1 N-ARYL AZASPIROALKENE AND AZASPIROALKANE COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF MUSK, TNNC1, CHRNA5 CYP2D6 74/4885MEN1 4523/4885KMT2A 2681/4885
US-20060074067-A1 N-aryl azaspiroalkene and azaspiroalkane compounds and methods of preparation and use thereof MUSK, TNNC1, CHRNA5 CYP2D6 74/4885MEN1 4523/4885KMT2A 2681/4885
US-20080242689-A1 Analgesics, central nervous system disorders, obesity, side effect reduction OPRL1, OPRK1, ACHE CYP2D6 42/4885MEN1 4626/4885KMT2A 2574/4885

“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.