SCHEMBL7275104

SCHEMBL7275104

O=C1CC[C@@H](CO)N1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 6/20 0.47
▸ HCRTR2 O43614 6/20 0.47
▸ TP53 P04637 1/20 0.45
▸ MDM2 Q00987 1/20 0.45
▸ EHMT2 Q96KQ7 1/20 0.45
▸ P2RX7 Q99572 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ MTNR1A P48039 5/20 0.44
▸ MTNR1B P49286 1/20 0.43
▸ CAPN1 P07384 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
SCHEMBL7275111 1.00 HCRTR1 (0.47) HCRTR1HCRTR2TP53MDM2EHMT2
SCHEMBL30829326 1.00 HCRTR1 (0.47) HCRTR1HCRTR2TP53MDM2EHMT2
SCHEMBL22443601 0.91 HCRTR1 (0.52) HCRTR1HCRTR2EHMT2P2RX7CYP3A4
SCHEMBL22443602 0.91 HCRTR1 (0.52) HCRTR1HCRTR2EHMT2P2RX7CYP3A4
SCHEMBL20193827 0.88 HCRTR1 (0.46) HCRTR1HCRTR2TP53MDM2EHMT2
SCHEMBL6703838 0.85 TP53 (0.46) HCRTR1HCRTR2TP53MDM2EHMT2
SCHEMBL16057864 0.85 ENPP2 (0.43) HCRTR1HCRTR2P2RX7TSHR
SCHEMBL11065983 0.85 EHMT2 (0.49) EHMT2CYP3A4TSHRCYP2C19
SCHEMBL27278853 0.85 EHMT2 (0.49) EHMT2CYP3A4TSHRCYP2C19
SCHEMBL31706028 0.84 ITGB1 (0.47) HCRTR1HCRTR2TP53MDM2EHMT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3919056-B1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS INC (US) 2024-08-28 — — EP disclosed
US-20230322704-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2023-10-12 — — US disclosed
US-20230322704-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2023-10-12 — — US disclosed
US-11530191-B2 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2022-12-20 — — US disclosed
US-11530191-B2 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2022-12-20 — — US disclosed
EP-3919056-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN Global Blood Therapeutics, Inc. (US) 2021-12-08 — — EP disclosed
EP-2970308-B1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS INC (US) 2021-07-14 — — EP disclosed
US-10829470-B2 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2020-11-10 — — US disclosed
US-10829470-B2 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2020-11-10 — — US disclosed
CN-111454200-A Compounds and their use for modulating hemoglobin 全球血液疗法股份有限公司 2020-07-28 — — CN disclosed
US-20160046613-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. (US) 2016-02-18 — — US disclosed
CN-105051044-A Compounds and their use for modulating hemoglobin GLOBAL BLOOD THERAPEUTICS INC 2015-11-11 — — CN disclosed
EP-0934305-A4 INTEGRIN ANTAGONISTS MERCK & CO INC (US) 2001-04-11 — — EP disclosed
US-6211184-B1 TETRAHYDRO-PYRAZINE OR PYRIMIDINE DERIVATIVES; VITRONECTIN RECEPTOR ANTAGONIST; OSTEOPOROSIS; ANTIINFLAMMATORY, ANTITUMOR AGENTS; ANGIOGENESIS AND RESTENOSIS INHIBITORS MERCK & CO., INC. 2001-04-03 — — US disclosed
US-5981546-A Integrin antagonists MERCK & CO., INC. (US) 1999-11-09 — — US disclosed
EP-0934305-A1 INTEGRIN ANTAGONISTS Merck & Co., Inc. (US) 1999-08-11 — — EP disclosed
WO-1998008840-A1 INTEGRIN ANTAGONISTS MERCK & CO., INC. (US) 1998-03-05 — — WO disclosed
EP-0381959-B1 Cyclohexaneacetamide derivatives HOFFMANN LA ROCHE (CH) 1995-05-03 — — EP disclosed
US-5015653-A Posess Cognitive Enhancement And Antiamnestic Activity HOFFMANN-LA ROCHE INC. (US) 1991-05-14 — — US disclosed
EP-0381959-A1 Cyclohexaneacetamide derivatives F. HOFFMANN-LA ROCHE AG (CH) 1990-08-16 — — 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 (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-20230322704-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB HCRTR1 4333/4885HCRTR2 4571/4885TP53 2488/4885
US-20160046613-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB HCRTR1 4333/4885HCRTR2 4571/4885TP53 2488/4885
US-11530191-B2 Compounds and uses thereof for the modulation of hemoglobin HBG2, HBG1, HBB HCRTR1 4333/4885HCRTR2 4571/4885TP53 2488/4885
US-10829470-B2 Compounds and uses thereof for the modulation of hemoglobin HBG2, HBG1, HBB HCRTR1 4333/4885HCRTR2 4571/4885TP53 2488/4885

“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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