SCHEMBL4988581

SCHEMBL4988581

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ EGFR P00533 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ ABCB1 P08183 1/20 0.38
▸ DRD2 P14416 6/20 0.38
▸ DRD3 P35462 6/20 0.38
▸ HTR2A P28223 4/20 0.37
▸ DRD4 P21917 3/20 0.37
▸ DRD1 P21728 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ PIM1 P11309 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 SCHEMBL6608472 0.99 LMNA (0.44) LMNAKMT2AMAPK1EGFRMAPT
SCHEMBL4985496 0.84 TDP1 (0.46) LMNAKMT2AMAPK1EGFRMAPT
SCHEMBL4987894 0.79 HTR1B (0.43) LMNAKMT2AMAPK1EGFRMAPT
SCHEMBL14370221 0.78 HTR1B (0.57) KMT2AMAPTSMN1; SMN2ALDH1A1TSHR
SCHEMBL14264000 0.78 HTR1B (0.57) KMT2AMAPTSMN1; SMN2ALDH1A1TSHR
Hydrochloric Acid SCHEMBL6992659 0.78 HTR1B (0.43) LMNAKMT2AMAPK1EGFRMAPT
SCHEMBL10522546 0.74 KMT2A (0.52) LMNAKMT2AMAPK1EGFRMAPT
SCHEMBL4732706 0.71 SMN1; SMN2 (0.46) LMNAKMT2AMAPTSMN1; SMN2MEN1
SCHEMBL8202534 0.71 SMN1; SMN2 (0.46) LMNAKMT2AMAPTSMN1; SMN2MEN1
SCHEMBL27584424 0.71 DRD3 (0.38) LMNAKMT2AMAPK1EGFRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7045514-B2 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2006-05-16 — — US 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
US-20020113316-A1 Semiconductor device and method of manufacturing the same CONON SALES CO., LTD. 2002-08-22 — — 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
EP-1217648-A2 Method of manufacturing an interlayer dielectric layer with low dielectric constant Canon Sales Co., Inc. (JP) 2002-06-26 — — EP 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-20080076759-A1 Therapeutic Heterocyclic Compounds 507 HTR1A, HTR1B, HTR1D LMNA 1891/4885KMT2A 2073/4885MAPK1 2684/4885
US-20060178372-A1 Therapeutic quinoline compounds HTR1B, HTR3B, HTR1A LMNA 1636/4885KMT2A 910/4885MAPK1 2839/4885
US-20030013708-A1 Therapeutic heterocyclic compounds HTR1A, HTR1D, HTR1B LMNA 1808/4885KMT2A 1265/4885MAPK1 2259/4885

“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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