SCHEMBL18596111

SCHEMBL18596111

CCC(=O)C(NC(=O)OC)C1Cc2ccccc2C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.40
MTNR1B P49286 9/20 0.40
CYP1A2 P05177 2/20 0.35
ALOX15 P16050 2/20 0.35
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GRM7 Q14831 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL27923521 0.84 GRM7 (0.40) MTNR1AMTNR1BALOX15MEN1TSHR
SCHEMBL239019 0.84 GRM7 (0.40) MTNR1AMTNR1BALOX15MEN1TSHR
SCHEMBL3265365 0.84 MTNR1A (0.39) MTNR1AMTNR1BCYP1A2MEN1TSHR
SCHEMBL5991375 0.81 GRM7 (0.38) MTNR1AMTNR1BMEN1TSHRKMT2A
SCHEMBL8915468 0.78 AAK1 (0.30)
SCHEMBL18596276 0.78 AAK1 (0.30)
SCHEMBL8918588 0.78 AAK1 (0.30)
SCHEMBL20643797 0.76 ATM (0.47) CYP1A2MEN1CYP3A4CYP2C19KMT2A
SCHEMBL20643834 0.75 MMP2 (0.33) ALDH1A1
SCHEMBL12943507 0.75 MMP2 (0.37) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10039754-B2 Anti-viral compounds ABBVIE INC. (US) 2018-08-07 US disclosed
US-20170157104-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 US disclosed
US-9586978-B2 Anti-viral compounds ABBVIE INC. (US) 2017-03-07 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-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MTNR1A 4328/4885MTNR1B 4129/4885CYP1A2 2958/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS MTNR1A 4328/4885MTNR1B 4129/4885CYP1A2 2958/4885

“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.