SCHEMBL14965694

SCHEMBL14965694

O=C(O)C1(F)CCN(Cc2ccccc2)C1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 7/20 0.54
CYP3A4 P08684 7/20 0.54
TSHR P16473 3/20 0.54
LTA4H P09960 1/20 0.52
CYP1A2 P05177 2/20 0.50
OPRL1 P41146 1/20 0.50
CHRM2 P08172 1/20 0.50
CHRM3 P20309 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
USP2 O75604 1/20 0.49
SLC6A1 P30531 1/20 0.49
POLB P06746 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HPGD P15428 1/20 0.48

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
SCHEMBL14957312 1.00 CYP2D6 (0.54) CYP2D6CYP3A4TSHRLTA4HCYP1A2
SCHEMBL14957149 1.00 CYP2D6 (0.54) CYP2D6CYP3A4TSHRLTA4HCYP1A2
Potassium Ion SCHEMBL30502359 0.87 CYP2D6 (0.51) CYP2D6CYP3A4TSHRCYP1A2OPRL1
SCHEMBL18929838 0.85 KDM4E (0.56) OPRL1CHRM2HPGD
SCHEMBL14962729 0.84 CYP2D6 (0.53) CYP2D6CYP3A4TSHRCYP1A2CHRM2
SCHEMBL14677254 0.84 CYP2D6 (0.53) CYP2D6CYP3A4TSHRCYP1A2CHRM2
SCHEMBL14962728 0.84 CYP2D6 (0.53) CYP2D6CYP3A4TSHRCYP1A2CHRM2
SCHEMBL2146325 0.81 CYP2D6 (0.49) CYP2D6CYP3A4TSHRCYP1A2CYP2C9
SCHEMBL11544321 0.81 OPRL1 (0.57) CYP2D6CYP3A4TSHRCYP1A2OPRL1
SCHEMBL6676503 0.80 S1PR1 (0.55)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10398677-B2 N-phenyl-carboxamide derivatives and the use thereof as medicaments for the treatment of hepatitis B JANSSEN SCIENCES IRELAND UC (IE) 2019-09-03 US disclosed
US-20180153857-A1 N-PHENYL-CARBOXAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN SCIENCES IRELAND UC (IE) 2018-06-07 US disclosed
US-9895349-B2 N-phenyl-carboxamide derivatives and the use thereof as medicaments for the treatment of hepatitis B JANSSEN SCIENCES IRELAND US (IE) 2018-02-20 US disclosed
EP-2981536-B1 N-PHENYL-CARBOXAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN SCIENCES IRELAND UC (IE) 2017-06-14 EP disclosed
US-20160051512-A1 N-PHENYL-CARBOXAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN SCIENCES IRELAND UC (IE) 2016-02-25 US disclosed
EP-2981536-A1 N-PHENYL-CARBOXAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B Janssen Sciences Ireland UC (IE) 2016-02-10 EP disclosed
WO-2014161888-A1 N-PHENYL-CARBOXAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN R&D IRELAND (IE) 2014-10-09 WO disclosed
EP-2780039-A2 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF Pfizer Inc (US) 2014-09-24 EP disclosed
WO-2013072813-A2 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF PFIZER INC. (US) 2013-05-23 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-10398677-B2 N-phenyl-carboxamide derivatives and the use thereof as medicaments for the treatment of hepatitis B HCCS, PYGL, XDH CYP2D6 674/4885CYP3A4 148/4885TSHR 3087/4885
US-20180153857-A1 N-PHENYL-CARBOXAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B HCCS, PYGL, XDH CYP2D6 674/4885CYP3A4 148/4885TSHR 3087/4885
US-20160051512-A1 N-PHENYL-CARBOXAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B HCCS, PYGL, XDH CYP2D6 674/4885CYP3A4 148/4885TSHR 3087/4885

“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.