SCHEMBL203039

SCHEMBL203039

COC(=O)C1CN(Cc2ccccc2)CN1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
FUCA1 P04066 2/20 0.45
S1PR1 P21453 1/20 0.43
S1PR5 Q9H228 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GBA1 P04062 1/20 0.43
BCHE P06276 2/20 0.42
MCHR1 Q99705 1/20 0.42
ACHE P22303 1/20 0.42
SIGMAR1 Q99720 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
SCHEMBL23464746 1.00 MEN1 (0.46) MEN1KMT2AFUCA1S1PR1S1PR5
SCHEMBL2706345 1.00 MEN1 (0.46) MEN1KMT2AFUCA1S1PR1S1PR5
SCHEMBL15148260 0.86 F2 (0.48) MEN1KMT2AALDH1A1BCHEMCHR1
SCHEMBL8563102 0.86 F2 (0.48) MEN1KMT2AALDH1A1BCHEMCHR1
SCHEMBL17166392 0.85 KMT2A (0.42) KMT2AFUCA1S1PR1S1PR5ALDH1A1
SCHEMBL17166396 0.84 S1PR5 (0.53) FUCA1S1PR1S1PR5ALDH1A1TDP1
SCHEMBL23415558 0.84 S1PR5 (0.53) FUCA1S1PR1S1PR5ALDH1A1TDP1
SCHEMBL22530421 0.81 FUCA1 (0.47) MEN1KMT2AFUCA1S1PR1S1PR5
SCHEMBL26428019 0.81 FUCA1 (0.47) MEN1KMT2AFUCA1S1PR1S1PR5
SCHEMBL26428016 0.81 FUCA1 (0.47) MEN1KMT2AFUCA1S1PR1S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114980976-A Covalent RAS inhibitors and uses thereof 锐新医药公司 2022-08-30 CN disclosed
CN-106588890-B Antiviral compounds 吉利德制药有限责任公司 2020-11-27 CN disclosed
EP-3626716-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2020-03-25 EP disclosed
CN-109020961-A Antiviral compound 吉利德制药有限责任公司 2018-12-18 CN disclosed
CN-104230900-B Antiviral compound 吉利德制药有限责任公司 2018-10-19 CN disclosed
US-9981955-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2018-05-29 US disclosed
EP-3309157-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-04-18 EP disclosed
EP-3002281-B1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2017-09-13 EP disclosed
CN-106588890-A Antiviral compounds 吉利德制药有限责任公司 2017-04-26 CN disclosed
CN-104211713-B Antiviral compounds 吉利德制药有限责任公司 2017-04-12 CN disclosed
US-8575118-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-11-05 US disclosed
US-20130137877-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-05-30 US disclosed
US-20120264711-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-10-18 US disclosed
US-8273341-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-09-25 US disclosed
CN-102596936-A Antiviral compounds GILEAD SCIENCES INC 2012-07-18 CN disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 US disclosed
EP-2430014-A1 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2012-03-21 EP disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 US disclosed
WO-2010132601-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-11-18 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 (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-20130137877-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 MEN1 4292/4885KMT2A 3803/4885FUCA1 2977/4885
US-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 MEN1 4292/4885KMT2A 3803/4885FUCA1 2977/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 MEN1 4292/4885KMT2A 3803/4885FUCA1 2977/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 MEN1 4292/4885KMT2A 3803/4885FUCA1 2977/4885

“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.