SCHEMBL21541001

SCHEMBL21541001

O=C(NCCc1ccc(F)cc1)[C@@H]1CCCN1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.60
POLB P06746 1/20 0.59
HTR2C P28335 5/20 0.54
HTR2B P41595 3/20 0.54
PRCP P42785 1/20 0.51
TLR2 O60603 1/20 0.51
TLR1 Q15399 1/20 0.51
GID4 Q8IVV7 1/20 0.49
KDM4E B2RXH2 1/20 0.48
CCNK O75909 1/20 0.47
CDK12 Q9NYV4 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL21206860 0.87 HTR2C (0.70) POLBHTR2CHTR2BGID4KDM4E
SCHEMBL18257088 0.87 HTR2C (0.55) TAAR1HTR2CHTR2BPRCPGID4
Hydrochloric Acid SCHEMBL20489700 0.86 HTR2C (0.68) POLBHTR2CHTR2BGID4KDM4E
SCHEMBL21540823 0.86 HTR2C (0.60) POLBHTR2CHTR2BPRCPKDM4E
Hydrochloric Acid SCHEMBL20489702 0.86 HTR2C (0.68) POLBHTR2CHTR2BGID4KDM4E
SCHEMBL2089397 0.86 HTR2C (0.60) TAAR1POLBHTR2CHTR2BPRCP
SCHEMBL2089398 0.86 HTR2C (0.60) TAAR1POLBHTR2CHTR2BPRCP
SCHEMBL2089855 0.86 HTR2C (0.60) TAAR1POLBHTR2CHTR2BPRCP
SCHEMBL21540822 0.85 HTR2C (0.57) TAAR1HTR2CHTR2BPRCPGID4
Hydrochloric Acid SCHEMBL11095820 0.84 HTR2C (0.59) TAAR1POLBHTR2CHTR2BPRCP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10654834-B2 Non-systemic TGR5 agonists Venenum Biodesign, LLC (US) 2020-05-19 US disclosed
US-20190330191-A1 NOVEL NON-SYSTEMIC TGR5 AGONISTS Venenum Biodesign, LLC (US) 2019-10-31 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-20190330191-A1 NOVEL NON-SYSTEMIC TGR5 AGONISTS GPR119, FFAR1, FFAR3 TAAR1 121/4885POLB 4646/4885HTR2C 722/4885
US-10654834-B2 Non-systemic TGR5 agonists GPR119, SSTR5, FFAR3 TAAR1 132/4885POLB 4626/4885HTR2C 691/4885

“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.