SCHEMBL4994240

SCHEMBL4994240

Nc1ccc(N2CCN(C(=O)CCO)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GFER P55789 3/20 0.61
▸ CASP6 P55212 1/20 0.61
▸ MAPT P10636 8/20 0.55
▸ LMNA P02545 3/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ HTR1A P08908 2/20 0.51
▸ HTR7 P34969 2/20 0.51
▸ GAA P10253 4/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ ALOX12 P18054 2/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ AKR1C3 P42330 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ ME2 P23368 1/20 0.50
▸ ME1 P48163 1/20 0.50
▸ ME3 Q16798 1/20 0.50
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49

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
SCHEMBL188832 0.87 AKR1C3 (0.65) GFERCASP6MAPTLMNANPSR1
SCHEMBL8230640 0.85 GFER (0.59) GFERCASP6MAPTLMNANPSR1
SCHEMBL4994231 0.84 MAPT (0.53) GFERMAPTLMNANPSR1HTR1A
SCHEMBL15650594 0.83 GFER (0.65) GFERCASP6MAPTLMNANPSR1
SCHEMBL1813106 0.82 GFER (0.68) GFERCASP6MAPTLMNAGAA
SCHEMBL6508169 0.82 GFER (0.59) GFERCASP6MAPTLMNANPSR1
SCHEMBL12826300 0.81 MAPT (0.54) GFERMAPTLMNANPSR1HTR1A
SCHEMBL8230222 0.81 MAPT (0.67) GFERCASP6MAPTLMNAHTR1A
SCHEMBL28806386 0.79 GFER (0.73) GFERCASP6MAPTLMNANPSR1
SCHEMBL23911877 0.79 GLA (0.56) GFERCASP6MAPTLMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050182050-A1 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2005-08-18 — — US claimed
US-6812225-B2 PYSCHOLOGICAL DISORDERS; ANTIDEPRESSANTS ASTRAZENECA AB (SE) 2004-11-02 — — US claimed
US-20030013708-A1 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2003-01-16 — — US claimed
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-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-20050182050-A1 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2005-08-18 — — US disclosed
US-20050096312-A1 Antiserotonine agents; antidepressants; eating disorders; anxiolytic agents; sleep disorders; gastrointestinal disorders; cardiovascular disorders; muscular disorders; endocrine system diseases; muscular disorders; psychological disorders ASTRAZENECA AB (SE) 2005-05-05 — — US disclosed
EP-1353913-A2 THERAPEUTIC HETEROCYCLIC COMPOUNDS AstraZeneca AB (SE) 2003-10-22 — — EP disclosed
EP-1353914-A2 THERAPEUTIC CHROMONE COMPOUNDS AstraZeneca AB (SE) 2003-10-22 — — EP disclosed
EP-1353915-A2 THERAPEUTIC CHROMAN COMPOUNDS AstraZeneca AB (SE) 2003-10-22 — — EP disclosed
WO-2003037872-A1 THERAPEUTIC QUINOLINE COMPOUNDS WITH 5-HT-ANTAGONISTIC PROPERTIES ASTRAZENECA AB (SE) 2003-05-08 — — WO disclosed
WO-2003037871-A1 THERAPEUTIC QUINOLONE COMPOUNDS WITH 5-HT-ANTAGONISTIC PROPERTIES ASTRAZENECA AB (SE) 2003-05-08 — — WO disclosed
US-20030013708-A1 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2003-01-16 — — US disclosed
WO-2002055012-A2 THERAPEUTIC HETEROCYCLIC COMPOUNDS ASTRAZENECA AB (SE) 2002-07-18 — — WO disclosed
WO-2002055013-A2 THERAPEUTIC CHROMONE 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 (6 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 GFER 4158/4885CASP6 2209/4885MAPT 698/4885
US-20060178372-A1 Therapeutic quinoline compounds HTR1B, HTR3B, HTR1A GFER 4571/4885CASP6 3287/4885MAPT 628/4885
US-20050182050-A1 Therapeutic heterocyclic compounds HTR1B, HTR1D, HTR1A GFER 4013/4885CASP6 2877/4885MAPT 653/4885
US-20030013708-A1 Therapeutic heterocyclic compounds HTR1A, HTR1D, HTR1B GFER 4158/4885CASP6 2951/4885MAPT 661/4885
US-20060019947-A1 Therapeutic chromone compounds HTR1B, HTR3B, HTR1A GFER 4554/4885CASP6 2242/4885MAPT 1104/4885
US-20050096312-A1 Antiserotonine agents; antidepressants; eating disorders; anxiolytic agents; sleep disorders; gastrointestinal disorders; cardiovascular disorders; muscular disorders; endocrine system diseases; muscular disorders; psychological disorders HTR1D, HTR1B, HTR1A GFER 4080/4885CASP6 2944/4885MAPT 2231/4885

“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.

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