SCHEMBL19958799

SCHEMBL19958799

CCOC(=O)CC[C@@H]1CCCN1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 2/20 0.42
USP2 O75604 1/20 0.42
ALOX15 P16050 1/20 0.42
CYP1A2 P05177 1/20 0.38
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SMYD3 Q9H7B4 1/20 0.36
SLC6A2 P23975 3/20 0.36
SLC6A3 Q01959 3/20 0.36
SLC6A4 P31645 2/20 0.36
FDPS P14324 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.35
POLB P06746 1/20 0.35
KCNN4 O15554 1/20 0.35
ABL1 P00519 1/20 0.35
RIN1 Q13671 1/20 0.35

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
SCHEMBL24740457 1.00 TDP1 (0.42) TDP1ALDH1A1USP2ALOX15CYP1A2
SCHEMBL2044063 1.00 TDP1 (0.42) TDP1ALDH1A1USP2ALOX15CYP1A2
SCHEMBL3441772 0.95 FDPS (0.41) TDP1ALDH1A1USP2ALOX15CYP1A2
SCHEMBL24739380 0.95 FDPS (0.41) TDP1ALDH1A1USP2ALOX15CYP1A2
Hydrochloric Acid SCHEMBL3441771 0.94 SLC6A2 (0.42) TDP1ALDH1A1USP2ALOX15CYP1A2
SCHEMBL27743501 0.90 ALDH1A1 (0.43) TDP1ALDH1A1USP2ALOX15CYP1A2
SCHEMBL5100727 0.83 POLB (0.43) TDP1ALDH1A1CYP1A2MGAMGAA
SCHEMBL5100837 0.83 POLB (0.43) TDP1ALDH1A1CYP1A2MGAMGAA
SCHEMBL19958801 0.83 TSHR (0.41) FDPSTSHR
SCHEMBL19965458 0.83 TSHR (0.41) FDPSTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022253101-A1 PYRIDAZINONE COMPOUND AS PARP7 INHIBITOR 上海优理惠生医药有限公司 2022-12-08 WO disclosed
US-10246462-B2 Chemokine receptor modulators and uses thereof FLX BIO, INC. (US) 2019-04-02 US disclosed
US-20180072743-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF RAPT THERAPEUTICS, INC. 2018-03-15 US disclosed
WO-2018049271-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF FLX BIO, INC. (US) 2018-03-15 WO disclosed
US-20180072743-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF RAPT THERAPEUTICS, INC. 2018-03-15 US 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-10246462-B2 Chemokine receptor modulators and uses thereof ACKR3, CCR5, CXCR3 TDP1 4216/4885ALDH1A1 2109/4885USP2 3691/4885
US-20180072743-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF ACKR3, CCR5, CXCR3 TDP1 4216/4885ALDH1A1 2109/4885USP2 3691/4885

“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.