SCHEMBL20071792

SCHEMBL20071792

CC(CC(C)N1C(=O)C=CC1=O)C(=O)NCC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
REN P00797 6/20 0.36
MMP1 P03956 1/20 0.34
ALDH1A1 P00352 1/20 0.33
BCHE P06276 1/20 0.31
FPR2 P25090 1/20 0.31
AKT1 P31749 1/20 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
SCHEMBL19882338 0.83 TSHR (0.35) ALDH1A1
SCHEMBL18715951 0.80 REN (0.32) REN
SCHEMBL18639285 0.80 REN (0.32) REN
SCHEMBL20072154 0.80 FFAR2 (0.30) MMP1
SCHEMBL20204595 0.77 BCHE (0.31) BCHE
SCHEMBL18459795 0.76
SCHEMBL27332695 0.76 HDAC1 (0.37)
SCHEMBL27332697 0.76 HDAC1 (0.37)
SCHEMBL27332702 0.74 HDAC1 (0.35) MMP1ALDH1A1BCHEFPR2AKT1
SCHEMBL27332716 0.74 HDAC1 (0.35) MMP1ALDH1A1BCHEFPR2AKT1

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-10465013-B2 Antibodies to quetiapine haptens and use thereof JANSSEN PHARMACEUTICA NV (BE) 2019-11-05 US disclosed
US-20180105606-A1 ANTIBODIES TO QUETIAPINE HAPTENS AND USE THEREOF JANSSEN PHARMACEUTICA NV (BE) 2018-04-19 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-20180105606-A1 ANTIBODIES TO QUETIAPINE HAPTENS AND USE THEREOF HTR4, HTR3C, SLC6A4 REN 1703/4885MMP1 3706/4885ALDH1A1 2245/4885
US-10465013-B2 Antibodies to quetiapine haptens and use thereof HTR4, HTR3C, SLC6A4 REN 1703/4885MMP1 3706/4885ALDH1A1 2245/4885

“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.