SCHEMBL4987894

SCHEMBL4987894

CN1CCN(c2cccc3c2OC(C(=O)O)CC3)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1B P28222 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ TMEM97 Q5BJF2 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ DRD2 P14416 7/20 0.38
▸ DRD3 P35462 7/20 0.38
▸ HTR6 P50406 2/20 0.38
▸ HTR2A P28223 4/20 0.38
▸ DRD4 P21917 3/20 0.38
▸ DRD1 P21728 1/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ EGFR P00533 1/20 0.37

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 SCHEMBL6992659 0.99 HTR1B (0.43) HTR1BKCNH2TMEM97SIGMAR1LMNA
SCHEMBL5313512 0.83 DRD3 (0.34) HTR1BKCNH2SIGMAR1LMNAALDH1A1
Hydrochloric Acid SCHEMBL4254122 0.82 MEN1 (0.35) HTR1BKCNH2SIGMAR1LMNAALDH1A1
SCHEMBL28684559 0.81 ALDH1A1 (0.43) KCNH2TMEM97SIGMAR1LMNAALDH1A1
SCHEMBL4251388 0.81 KCNH2 (0.36) HTR1BKCNH2TMEM97SIGMAR1LMNA
Hydrochloric Acid SCHEMBL4249950 0.80 KCNH2 (0.36) HTR1BKCNH2LMNAALDH1A1TSHR
SCHEMBL5311384 0.80 HTR1B (0.46) HTR1BKCNH2LMNAALDH1A1TSHR
Hydrochloric Acid SCHEMBL4246638 0.79 HTR1B (0.46) HTR1BKCNH2LMNAALDH1A1TSHR
SCHEMBL22411116 0.79 DRD2 (0.43) DRD2DRD3HTR6HTR2ADRD4
SCHEMBL4988581 0.79 LMNA (0.45) LMNAALDH1A1TSHRHTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100384833-C Therapeutic chroman compounds ASTRAZENECA AB (SE) 2008-04-30 — — CN claimed
WO-2020183011-A1 HTR1D INHIBITORS AND USES THEREOF IN THE TREATMENT OF CANCER INSTITUT CURIE (FR) 2020-09-17 — — WO disclosed
CN-1821236-B Therapeutic heterocyclic compounds ASTRAZENECA AB 2010-06-23 — — CN disclosed
CN-100509794-C Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2009-07-08 — — CN disclosed
CN-100460402-C Therapeutic benzopyranone compounds used as intermediates. ASTRAZENECA AB (SE) 2009-02-11 — — CN disclosed
CN-100384833-C Therapeutic chroman compounds ASTRAZENECA AB (SE) 2008-04-30 — — CN 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
CN-1821236-A Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2006-08-23 — — CN disclosed
US-20060178372-A1 Therapeutic quinoline compounds ASTRAZENECA AB (SE) 2006-08-10 — — US disclosed
US-20040082591-A1 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2004-04-29 — — 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-2003037871-A1 THERAPEUTIC QUINOLONE COMPOUNDS WITH 5-HT-ANTAGONISTIC PROPERTIES ASTRAZENECA AB (SE) 2003-05-08 — — WO disclosed
WO-2003037872-A1 THERAPEUTIC QUINOLINE 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 (4 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 HTR1B 2/4885KCNH2 2598/4885TMEM97 686/4885
US-20060178372-A1 Therapeutic quinoline compounds HTR1B, HTR3B, HTR1A HTR1B 1/4885KCNH2 1761/4885TMEM97 688/4885
US-20030013708-A1 Therapeutic heterocyclic compounds HTR1A, HTR1D, HTR1B HTR1B 3/4885KCNH2 2520/4885TMEM97 1279/4885
US-20040082591-A1 Therapeutic heterocyclic compounds HTR1A, HTR1D, HTR1B HTR1B 3/4885KCNH2 2522/4885TMEM97 1292/4885

“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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