SCHEMBL4985572

SCHEMBL4985572

CC(=O)N1CCc2ccc(N3CCNCC3)cc21

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 8/20 0.57
DRD3 P35462 2/20 0.52
HTR6 P50406 2/20 0.52
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ADRB1 P08588 1/20 0.45
TNF P01375 2/20 0.45
NOD2 Q9HC29 2/20 0.45
NOD1 Q9Y239 2/20 0.45
TRPV1 Q8NER1 1/20 0.44
LMNA P02545 2/20 0.44
EGFR P00533 1/20 0.43
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL8133031 0.86 NOTUM (0.60) NOTUMDRD3HTR6ALDH1A1SMN1; SMN2
SCHEMBL6608569 0.77 NOTUM (0.53) NOTUMALDH1A1SMN1; SMN2TRPV1LMNA
SCHEMBL6608567 0.77 NOTUM (0.53) NOTUMALDH1A1SMN1; SMN2TRPV1LMNA
SCHEMBL8282303 0.76 HTR6 (0.56) NOTUMDRD3HTR6ALDH1A1ADRB1
SCHEMBL8435597 0.75 HTR6 (0.44) DRD3HTR6ALDH1A1SMN1; SMN2ADRB1
SCHEMBL5349708 0.74 HTR6 (0.51) DRD3HTR6ALDH1A1SMN1; SMN2ADRB1
SCHEMBL429841 0.74 NOTUM (0.76) NOTUMALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL8141492 0.74 NOTUM (0.69) NOTUMDRD3ALDH1A1SMN1; SMN2LMNA
SCHEMBL980588 0.73 NOTUM (0.67) NOTUMALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL1044559 0.73 NOTUM (0.67) NOTUMALDH1A1SMN1; SMN2LMNAMAPT

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076759-A1 Therapeutic Heterocyclic Compounds 507 ASTRAZENECA AB (SE) 2008-03-27 US disclosed
US-20080076759-A1 Therapeutic Heterocyclic Compounds 507 ASTRAZENECA AB (SE) 2008-03-27 US disclosed
US-20080076759-A1 Therapeutic Heterocyclic Compounds 507 ASTRAZENECA AB (SE) 2008-03-27 US disclosed
US-7285662-B2 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2007-10-23 US disclosed
US-7285662-B2 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2007-10-23 US disclosed
US-7285662-B2 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2007-10-23 US disclosed
US-20060178372-A1 Therapeutic quinoline compounds ASTRAZENECA AB (SE) 2006-08-10 US disclosed
US-7045514-B2 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2006-05-16 US disclosed
US-7026314-B2 Psychological disorders, antidepressants, anxiolytic agents, eating disorders; serotonin receptors antagonist ASTRAZENECA AB (SE) 2006-04-11 US disclosed
US-20060019947-A1 Therapeutic chromone compounds CHAPDELAINE MARC 2006-01-26 US disclosed
US-20040110745-A1 Therapeutic chroman compounds INTEL CORPORATION 2004-06-10 US disclosed
US-20040087575-A1 Therapeutic chromone compounds SPORT COURT INTERNATIONAL, INC. 2004-05-06 US disclosed
US-20040082591-A1 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2004-04-29 US disclosed
EP-1353914-A2 THERAPEUTIC CHROMONE COMPOUNDS AstraZeneca AB (SE) 2003-10-22 EP disclosed
EP-1353913-A2 THERAPEUTIC HETEROCYCLIC COMPOUNDS AstraZeneca AB (SE) 2003-10-22 EP disclosed
EP-1353915-A2 THERAPEUTIC CHROMAN COMPOUNDS AstraZeneca AB (SE) 2003-10-22 EP disclosed
US-20030013708-A1 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2003-01-16 US disclosed
WO-2002055013-A2 THERAPEUTIC CHROMONE COMPOUNDS ASTRAZENECA AB (SE) 2002-07-18 WO disclosed
WO-2002055012-A2 THERAPEUTIC HETEROCYCLIC COMPOUNDS ASTRAZENECA AB (SE) 2002-07-18 WO disclosed
WO-2002055014-A2 THERAPEUTIC CHROMAN COMPOUNDS ASTRAZENECA AB (SE) 2002-07-18 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 (7 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-20080076759-A1 Therapeutic Heterocyclic Compounds 507 HTR1A, HTR1B, HTR1D NOTUM 4264/4885DRD3 79/4885HTR6 12/4885
US-20060178372-A1 Therapeutic quinoline compounds HTR1B, HTR3B, HTR1A NOTUM 4391/4885DRD3 106/4885HTR6 18/4885
US-20040087575-A1 Therapeutic chromone compounds HTR1B, HTR1A, HTR3B NOTUM 4056/4885DRD3 187/4885HTR6 12/4885
US-20030013708-A1 Therapeutic heterocyclic compounds HTR1A, HTR1D, HTR1B NOTUM 4311/4885DRD3 83/4885HTR6 15/4885
US-20040082591-A1 Therapeutic heterocyclic compounds HTR1A, HTR1D, HTR1B NOTUM 4161/4885DRD3 94/4885HTR6 15/4885
US-20060019947-A1 Therapeutic chromone compounds HTR1B, HTR3B, HTR1A NOTUM 4226/4885DRD3 251/4885HTR6 11/4885
US-20040110745-A1 Therapeutic chroman compounds HTR1A, ACHE, CALCA NOTUM 1742/4885DRD3 1088/4885HTR6 14/4885

“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.