SCHEMBL3947332

SCHEMBL3947332

O=C(O)C1(F)C=CC(c2ccccc2)=CC1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
AKR1C1 Q04828 1/20 0.30

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
SCHEMBL31559989 0.87 APP (0.34)
SCHEMBL27604192 0.87 MAPT (0.33)
SCHEMBL28789047 0.81 XDH (0.41)
SCHEMBL316146 0.79 THRB (0.32) THRBTDP1AKR1C1
SCHEMBL2121108 0.78 SRR (0.32) THRBTDP1AKR1C1
Hydrochloric Acid SCHEMBL2219432 0.78 THRB (0.32) THRBTDP1AKR1C1
SCHEMBL21328421 0.78 THRB (0.32) THRBTDP1AKR1C1
SCHEMBL28256376 0.78 THRB (0.32) THRBTDP1AKR1C1
SCHEMBL1119645 0.78 THRB (0.35) THRBTDP1AKR1C1
Hydrochloric Acid SCHEMBL8006256 0.78 THRB (0.32) THRBTDP1AKR1C1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7304065-B2 Melanin concentrating hormone antagonists THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US claimed
CN-101068773-A Melanin concentrating hormone antagonists PROCTER & GAMBLE (US) 2007-11-07 CN claimed
CN-113631548-B Serotonin 5-HT2B inhibiting compounds 硕腾服务有限责任公司 2023-06-06 CN disclosed
CN-113045494-B Pyridone derivative and application thereof in preparation of drugs for preventing and/or treating tuberculosis caused by mycobacterium tuberculosis 四川大学华西医院 2022-04-26 CN disclosed
CN-113631548-A Serotonin 5-HT2B inhibiting compounds 硕腾服务有限责任公司 2021-11-09 CN disclosed
CN-113045494-A Pyridone derivative and application thereof in preparation of drugs for preventing and/or treating tuberculosis caused by mycobacterium tuberculosis 四川大学华西医院 2021-06-29 CN disclosed
CN-102282139-B Piperidine derivatives as NK3 receptor antagonists HOFFMANN LA ROCHE 2014-06-18 CN disclosed
CN-102282139-A Piperidine derivatives as nk3 receptor antagonists 2011-12-14 CN disclosed
US-7544690-B2 MCH receptor antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-06-09 US disclosed
CN-101068773-A Melanin concentrating hormone antagonists PROCTER & GAMBLE (US) 2007-11-07 CN disclosed
US-20070129381-A1 PHARMACEUTICALLY ACTIVE PYRROLIDINE ESTER DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-06-07 US disclosed
US-20070037836-A1 Melanin concentrating hormone; obesity and related disorders, anxiety, or depression; trans-4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexylmethyl}-2-trifluoromethoxy-benzenesulfonamide TAISHO PHARMACEUTICAL CO., LTD. (JP) 2007-02-15 US disclosed
EP-1667958-A2 MELANIN CONCENTRATING HORMONE ANTAGONISTS THE PROCTER & GAMBLE COMPANY (US) 2006-06-14 EP disclosed
WO-2005033063-A2 MELANIN CONCENTRATING HORMONE ANTAGONISTS THE PROCTER & GAMBLE COMPANY (US) 2005-04-14 WO disclosed
EP-1432693-A2 MCH RECEPTOR ANTAGONISTS Taisho Pharmaceutical Co. Ltd. (JP) 2004-06-30 EP disclosed
WO-2003028641-A2 MCH RECEPTOR ANTAGONISTS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2003-04-10 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 (2 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-20070129381-A1 PHARMACEUTICALLY ACTIVE PYRROLIDINE ESTER DERIVATIVES OXTR, GPR6, CNR1 THRB 1309/4885TDP1 3428/4885AKR1C1 244/4885
US-20070037836-A1 Melanin concentrating hormone; obesity and related disorders, anxiety, or depression; trans-4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexylmethyl}-2-trifluoromethoxy-benzenesulfonamide MCHR1, MCHR2, MC4R THRB 44/4885TDP1 3389/4885AKR1C1 2290/4885

“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.