SCHEMBL1237469

SCHEMBL1237469

COc1cc(CCN)ccc1F

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.72
ATM Q13315 1/20 0.72
TAAR1 Q96RJ0 3/20 0.68
TSHR P16473 2/20 0.68
MAPK1 P28482 1/20 0.68
LMNA P02545 2/20 0.66
GLA P06280 1/20 0.66
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
NFKB1 P19838 1/20 0.61
MEN1 O00255 1/20 0.59
APEX1 P27695 1/20 0.59
KMT2A Q03164 1/20 0.59
HTR2A P28223 2/20 0.58
HTR2C P28335 2/20 0.58
HTR2B P41595 2/20 0.58
CYP19A1 P11511 1/20 0.53

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 SCHEMBL5353436 0.98 KDM4E (0.70) KDM4EATMTAAR1TSHRMAPK1
SCHEMBL23112136 0.89 KDM4E (0.58) KDM4EATMTAAR1TSHRMAPK1
Hydrochloric Acid SCHEMBL5362235 0.87 KDM4E (0.56) KDM4EATMTAAR1TSHRMAPK1
SCHEMBL943423 0.86 KDM4E (0.53) KDM4EATMTAAR1TSHRMAPK1
SCHEMBL8145667 0.85 ATM (0.52) KDM4EATMTAAR1TSHRMAPK1
Hydrochloric Acid SCHEMBL3646139 0.85 KDM4E (0.52) KDM4EATMTAAR1TSHRMAPK1
SCHEMBL988997 0.85 KDM4E (0.72) KDM4EATMTAAR1TSHRMAPK1
SCHEMBL210639 0.84 ATM (1.00) KDM4EATMTAAR1TSHRMAPK1
SCHEMBL29351641 0.84 ATM (1.00) KDM4EATMTAAR1TSHRMAPK1
Hydrochloric Acid SCHEMBL1437290 0.83 KDM4E (0.70) KDM4EATMTAAR1TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010136037-A1 NOVEL CALCIUM SENSING RECEPTOR MODULATING COMPOUNDS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2010-12-02 WO claimed
EP-4252755-B1 THERAPEUTIC COMPOUNDS C4X DISCOVERY LTD (GB) 2025-05-14 EP disclosed
EP-4139295-B1 ISOQUINILINE NRF2 AGONISTS C4X DISCOVERY LTD (GB) 2025-04-09 EP disclosed
EP-4139294-B1 ISOQUINILINE NRF2 AGONISTS C4X DISCOVERY LTD (GB) 2025-04-09 EP disclosed
US-20250084075-A1 THERAPEUTIC COMPOUNDS C4X DISCOVERY LIMITED (GB) 2025-03-13 US disclosed
CN-119569706-A Therapeutic compounds 希四克斯探索有限公司 2025-03-07 CN disclosed
CN-115667243-B Tetrahydroisoquinoline compounds as NRF2 activators 希四克斯探索有限公司 2025-01-07 CN disclosed
CN-112996785-B Therapeutic compounds 希四克斯探索有限公司 2024-12-06 CN disclosed
US-12098148-B2 Therapeutic compounds C4X DISCOVERY LIMITED (GB) 2024-09-24 US disclosed
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-06-27 US disclosed
WO-2008097428-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2008-08-14 WO disclosed
WO-2008097428-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2008-08-14 WO disclosed
US-20080070902-A1 Cinnamide Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-03-20 US disclosed
WO-2008019690-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2008-02-21 WO disclosed
EP-1757591-A1 CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-02-28 EP disclosed
US-20060004013-A1 Alzheimer's disease, senile dementia, Down syndrome or amyloidosis; 3E)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]piperidin-2-one; imidazolyl-functional compounds inhibit production of Amyloid beta 40 and Amyloid beta 42; low hygroscopicity; good solubility EISAI CO., LTD. 2006-01-05 US disclosed
US-20050171049-A1 Compounds for the treatment of ischemia DENINNO MICHAEL P (US) 2005-08-04 US disclosed
US-20050065171-A1 Substituted purine derivatives ARIAD PHARMACEUTICALS, INC. 2005-03-24 US disclosed
WO-2005009348-A2 SUBSTITUTED PURINE DERIVATIVES ARIAD PHARMACEUTICALS, INC. (US) 2005-02-03 WO disclosed
EP-1241176-A1 Purine derivatives for the treatment of ischemia Pfizer Products Inc. (US) 2002-09-18 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 (7 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-20050171049-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, TBXA2R KDM4E 4678/4885ATM 2999/4885TAAR1 1200/4885
US-20050065171-A1 Substituted purine derivatives ADORA2A, PNP, HPRT1 KDM4E 2177/4885ATM 3088/4885TAAR1 617/4885
US-20080070902-A1 Cinnamide Compound C1S, CCR1, CNR1 KDM4E 4007/4885ATM 3483/4885TAAR1 1406/4885
US-12098148-B2 Therapeutic compounds NFE2L2, KEAP1, NQO1 KDM4E 3963/4885ATM 2297/4885TAAR1 3678/4885
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS CFTR, PKD1, ARRB1 KDM4E 4646/4885ATM 1037/4885TAAR1 1932/4885
US-20060004013-A1 Alzheimer's disease, senile dementia, Down syndrome or amyloidosis; 3E)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]piperidin-2-one; imidazolyl-functional compounds inhibit production of Amyloid beta 40 and Amyloid beta 42; low hygroscopicity; good solubility PSEN1, APP, BACE1 KDM4E 3210/4885ATM 1418/4885TAAR1 1584/4885
US-20250084075-A1 THERAPEUTIC COMPOUNDS NFE2L2, KEAP1, NQO1 KDM4E 3963/4885ATM 2297/4885TAAR1 3678/4885

“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.