SCHEMBL16637274

SCHEMBL16637274

OC1C2CCCC1CNC2

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.44
GBA1 P04062 6/20 0.43
FUCA1 P04066 4/20 0.43
GLA P06280 2/20 0.43
GAA P10253 2/20 0.43
GLB1 P16278 2/20 0.43
MAN1B1 Q9UKM7 1/20 0.40
CHRNB2 P17787 2/20 0.36
CHRNB4 P30926 2/20 0.36
CHRNA3 P32297 2/20 0.36
CHRNA7 P36544 2/20 0.36
CHRNA4 P43681 2/20 0.36
PYGL P06737 1/20 0.32
GBA2 Q9HCG7 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL30539390 1.00 CCR5 (0.44) CCR5GBA1FUCA1GLAGAA
Hydrochloric Acid SCHEMBL6777912 0.97 CCR5 (0.42) CCR5GBA1FUCA1GLAGAA
Hydrochloric Acid SCHEMBL6777914 0.97 CCR5 (0.42) CCR5GBA1FUCA1GLAGAA
SCHEMBL5024292 0.88
SCHEMBL1726764 0.88
SCHEMBL12153077 0.88
SCHEMBL5024294 0.88
Hydrochloric Acid SCHEMBL6773968 0.85 CCR5 (0.47) CCR5GBA1FUCA1GLAGAA
Hydrochloric Acid SCHEMBL6773969 0.85 CCR5 (0.47) CCR5GBA1FUCA1GLAGAA
SCHEMBL3721400 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110818704-B Spiro bridged ring compounds, pharmaceutical compositions thereof and uses thereof 广州市恒诺康医药科技有限公司 2023-08-01 CN disclosed
US-20190002452-A1 FXR RECEPTOR MODULATOR, PREPARATION METHOD THEREFOR, AND USES THEREOF GUANGZHOU HENOVCOM BIOSCIENCE CO. LTD. (CN) 2019-01-03 US disclosed
EP-3401315-A1 FXR RECEPTOR MODULATOR, PREPARATION METHOD THEREFOR, AND USES THEREOF Guangzhou Henovcom Bioscience Co. Ltd. (CN) 2018-11-14 EP disclosed
EP-3055313-B1 CYCLIC THIENOURACIL CARBOXAMIDE AND ITS USE Bayer Pharma AG (DE) 2017-11-22 EP disclosed
EP-3055313-B1 CYCLIC THIENOURACIL CARBOXAMIDE AND ITS USE Bayer Pharma AG (DE) 2017-11-22 EP disclosed
US-20170145029-A1 CYCLIC THIENOURACIL-CARBOXAMIDES AND USE THEREOF Bayer Pharma AG (DE) 2017-05-25 US disclosed
US-20170145029-A1 CYCLIC THIENOURACIL-CARBOXAMIDES AND USE THEREOF Bayer Pharma AG (DE) 2017-05-25 US disclosed
US-9604996-B2 Cyclic thienouracil-carboxamides and use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-03-28 US disclosed
US-9604996-B2 Cyclic thienouracil-carboxamides and use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-03-28 US disclosed
US-20160244461-A1 CYCLIC THIENOURACIL-CARBOXAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-08-25 US disclosed
EP-3055313-A1 CYCLIC THIENOURACIL-CARBOXAMIDES AND USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2016-08-17 EP disclosed
WO-2015052065-A1 CYCLIC THIENOURACIL-CARBOXAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-04-16 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 (3 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-20190002452-A1 FXR RECEPTOR MODULATOR, PREPARATION METHOD THEREFOR, AND USES THEREOF NR1H4, FXR1, GPBAR1 CCR5 471/4885GBA1 3003/4885FUCA1 1653/4885
US-20160244461-A1 CYCLIC THIENOURACIL-CARBOXAMIDES AND USE THEREOF TYMS, TPMT, PDF CCR5 1187/4885GBA1 3927/4885FUCA1 4675/4885
US-20170145029-A1 CYCLIC THIENOURACIL-CARBOXAMIDES AND USE THEREOF TYMS, TPMT, PDF CCR5 1187/4885GBA1 3927/4885FUCA1 4675/4885

“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.