SCHEMBL578271

SCHEMBL578271

CN(C)CCOc1ccc(Br)cc1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.63
LTA4H P09960 2/20 0.61
KEAP1 Q14145 1/20 0.61
NFE2L2 Q16236 1/20 0.61
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 3/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
ESRRG P62508 2/20 0.53
ESRRB O95718 1/20 0.53
LMNA P02545 1/20 0.53
HTR7 P34969 1/20 0.52

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
SCHEMBL9773251 0.98 HRH3 (0.61) HRH3LTA4HKEAP1NFE2L2KDM4E
SCHEMBL6784753 0.90 KDM4E (0.69) HRH3LTA4HKEAP1NFE2L2KDM4E
SCHEMBL91406 0.81 HRH3 (0.66) HRH3LTA4HKEAP1NFE2L2KDM4E
SCHEMBL14922323 0.81 HRH3 (0.66) HRH3LTA4HKEAP1NFE2L2KDM4E
SCHEMBL13305508 0.81 THRA (0.53) HRH3LTA4HKEAP1NFE2L2KDM4E
SCHEMBL28144525 0.80 HRH3 (0.70) HRH3LTA4HKEAP1NFE2L2KDM4E
SCHEMBL1129242 0.80 EBP (0.62) HRH3LTA4H
SCHEMBL6557649 0.79 MAOB (0.57) LTA4HKDM4EALDH1A1LMNA
SCHEMBL23875573 0.79 MAPT (0.60) HRH3LTA4HKEAP1NFE2L2KDM4E
SCHEMBL14922719 0.79 HRH3 (0.63) HRH3LTA4HKEAP1NFE2L2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10385093-B2 Estrogen receptor imaging agents NORTHEASTERN UNIVERSITY (US) 2019-08-20 US claimed
US-20150344518-A1 ESTROGEN RECEPTOR IMAGING AGENTS UNITED STATES DEPARTMENT OF ENERGY 2015-12-03 US claimed
WO-2014093378-A1 ESTROGEN RECEPTOR IMAGING AGENTS NORTHEASTERN UNIVERSITY (US) 2014-06-19 WO claimed
WO-2025128616-A1 COMPOUNDS FOR TREATING CANCER GENESIS THERAPEUTICS, INC. (US) 2025-06-19 WO disclosed
US-20250136568-A1 FUSED HETEROCYCLIC COMPOUNDS AS PI3KALPHA INHIBITORS NANJING ZENSHINE PHARMACEUTICALS CO., LTD. (CN) 2025-05-01 US disclosed
EP-4444714-A1 FUSED HETEROCYCLIC COMPOUNDS AS PI3KALPHA INHIBITORS Nanjing Zenshine Pharmaceuticals Co., Ltd. (CN) 2024-10-16 EP disclosed
CN-118742545-A Fused heterocyclic compounds as PI3K alpha inhibitors 南京征祥医药有限公司 2024-10-01 CN disclosed
US-20240199621-A1 MAP4K4 INHIBITORS IMPERIAL COLLEGE INNOVATIONS LTD (GB) 2024-06-20 US disclosed
CN-117693503-A Substituted pyrazine-2-carboxamides as HPK1 inhibitors for the treatment of cancer 阿斯利康(瑞典)有限公司 2024-03-12 CN disclosed
US-11795169-B2 MAP4K4 inhibitors IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2023-10-24 US disclosed
US-11795169-B2 MAP4K4 inhibitors IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2023-10-24 US disclosed
EP-0110434-A1 Steroid intermediates substituted at position 11, and process for their preparation ROUSSEL-UCLAF (FR) 1984-06-13 EP disclosed
US-4447424-A ANTIFERTILITY, ANTIINFLAMMATORY AGENT, HORMONE INHIBITOR ROUSSEL UCLAF (FR) 1984-05-08 US disclosed
US-4386085-A ANTIGLUCOCORTICOIDS ROUSSELL UCLAF (FR) 1983-05-31 US disclosed
US-4383998-A Furo-(3,4-c)-pyridine derivatives and their pharmaceutical use SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (FR) 1983-05-17 US disclosed
EP-0078158-A2 Novel alkane and alkene derivatives and their preparation and use Farmos Group Ltd. (FI) 1983-05-04 EP disclosed
EP-0057115-A2 Steroid derivatives substituted in the 11-beta position, process for their preparation, their utilization as medicaments and compositions containing them ROUSSEL-UCLAF (FR) 1982-08-04 EP disclosed
EP-0002097-B1 TRIPHENYLALKENE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-08-05 EP disclosed
US-4206234-A Triphenylbut-1-ene derivatives and pharmaceutical compositions and uses thereof IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-06-03 US disclosed
EP-0002097-A1 Triphenylalkene derivatives, process for their preparation and pharmaceutical compositions containing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-05-30 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 (5 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-10385093-B2 Estrogen receptor imaging agents ESR1, GPER1, ESR2 HRH3 2318/4885LTA4H 1774/4885KEAP1 1952/4885
US-20250136568-A1 FUSED HETEROCYCLIC COMPOUNDS AS PI3KALPHA INHIBITORS PIK3CA, PIK3CD, PIK3CB HRH3 4376/4885LTA4H 2056/4885KEAP1 4094/4885
US-11795169-B2 MAP4K4 inhibitors MAP4K4, MAP4K2, MAP4K5 HRH3 3307/4885LTA4H 3063/4885KEAP1 567/4885
US-20240199621-A1 MAP4K4 INHIBITORS MAP4K4, MAP4K2, MAP4K5 HRH3 3307/4885LTA4H 3063/4885KEAP1 567/4885
US-20150344518-A1 ESTROGEN RECEPTOR IMAGING AGENTS ESR1, GPER1, ESR2 HRH3 2318/4885LTA4H 1774/4885KEAP1 1952/4885

“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.