SCHEMBL553913

SCHEMBL553913

CCNCCO[Si](C)(C)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.34
CYP2C19 P33261 2/20 0.33
MEN1 O00255 1/20 0.33
GLA P06280 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.32
DUT P33316 2/20 0.31

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
SCHEMBL844556 0.89 DUT (0.33) DUT
SCHEMBL15166734 0.86 DUT (0.33) DUT
SCHEMBL1803181 0.85 HTR1B (0.31) DUT
SCHEMBL17382288 0.82 KDM4E (0.36) DUT
SCHEMBL15863149 0.81 DUT (0.30) DUT
SCHEMBL6897953 0.81 KDM4E (0.32) MEN1KMT2ADUT
SCHEMBL24722777 0.79
SCHEMBL12804234 0.79 TSHR (0.34) CYP2C19MEN1KMT2ACYP1A2TSHR
SCHEMBL19586814 0.78 SAT1 (0.35)
SCHEMBL22911152 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210355104-A1 ADENOSINE RECEPTOR BINDING COMPOUNDS NIKANG THERAPEUTICS, INC. (US) 2021-11-18 US disclosed
EP-3820474-A1 ADENOSINE RECEPTOR BINDING COMPOUNDS Nikang Therapeutics, Inc. (US) 2021-05-19 EP disclosed
CN-112423758-A Adenosine receptor binding compounds 尼康治疗公司 2021-02-26 CN disclosed
CN-107001279-B CXCR7 receptor modulators 爱杜西亚药品有限公司 2020-10-20 CN disclosed
WO-2020192129-A1 METHOD FOR PREPARING 2-(3-(AZETIDIN-3-YL)PIPERIDIN-1-YL)ETHYL-1-OL AND USE THEREOF 苏州国匡医药科技有限公司 2020-10-01 WO disclosed
EP-2944637-B1 NITROGEN-CONTAINING HETEROCYLIC COMPOUND OR SALT THEREOF FUJIFILM CORP (JP) 2020-02-19 EP disclosed
EP-3227263-B1 CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2019-04-10 EP disclosed
US-10202368-B2 CXCR7 receptor modulators IDORSIA PHARMACEUTICALS LTD. (CH) 2019-02-12 US disclosed
US-20170327493-A1 CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2017-11-16 US disclosed
EP-2601177-B1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ASTRAZENECA AB (SE) 2017-10-18 EP disclosed
US-20150126591-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PARKINSON'S DISEASE CELLIX BIO PRIVATE LIMITED (IN) 2015-05-07 US disclosed
US-20150126591-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PARKINSON'S DISEASE CELLIX BIO PRIVATE LIMITED (IN) 2015-05-07 US disclosed
US-9018381-B2 Chemical compounds ASTRAZENECA AB (SE) 2015-04-28 US disclosed
US-9018381-B2 Chemical compounds ASTRAZENECA AB (SE) 2015-04-28 US disclosed
US-20130310344-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ASTRAZENECA AB (UK) 2013-11-21 US disclosed
US-20130310344-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ASTRAZENECA AB (UK) 2013-11-21 US disclosed
EP-2601177-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS AstraZeneca AB (SE) 2013-06-12 EP disclosed
US-20120035134-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-09 US disclosed
US-20120035134-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-09 US disclosed
WO-2012017251-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ASTRAZENECA AB (SE) 2012-02-09 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 (6 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-20210355104-A1 ADENOSINE RECEPTOR BINDING COMPOUNDS ADORA2A, ADORA1, ADORA3 HTT 4707/4885CYP2C19 4298/4885MEN1 2816/4885
US-10202368-B2 CXCR7 receptor modulators CXCR1, CXCR5, CXCR2 HTT 3030/4885CYP2C19 853/4885MEN1 1967/4885
US-20120035134-A1 CHEMICAL COMPOUNDS BCL2, BCL2L1, BAX HTT 3192/4885CYP2C19 1145/4885MEN1 2368/4885
US-20170327493-A1 CXCR7 RECEPTOR MODULATORS CXCR1, CXCR5, CXCR2 HTT 3676/4885CYP2C19 768/4885MEN1 1853/4885
US-20130310344-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BCL2, BAX, BCLAF1 HTT 3761/4885CYP2C19 3670/4885MEN1 4724/4885
US-20150126591-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PARKINSON'S DISEASE PARK7, HTT, SNCA HTT 2/4885CYP2C19 244/4885MEN1 1288/4885

“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.