SCHEMBL16670995

SCHEMBL16670995

Cc1cc(NC(=O)[C@H]2CCN[C@H]2C)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.46
▸ HCRTR1 O43613 1/20 0.43
▸ HCRTR2 O43614 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ DRD4 P21917 2/20 0.39
▸ TMEM97 Q5BJF2 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ F13A1 P00488 1/20 0.39
▸ TGM2 P21980 1/20 0.39
▸ GLA P06280 1/20 0.38
▸ KCNJ6 P48051 2/20 0.38
▸ KCNJ5 P48544 2/20 0.38
▸ KCNJ3 P48549 2/20 0.38
▸ GRM4 Q14833 1/20 0.38
▸ HTR2B P41595 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ KDR P35968 1/20 0.37

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
Hydrochloric Acid SCHEMBL29621767 0.99 GAA (0.45) GAAHCRTR1HCRTR2ALDH1A1DRD4
Hydrochloric Acid SCHEMBL29621642 0.88 NPC1 (0.45) GAAHCRTR1HCRTR2ALDH1A1NPC1
SCHEMBL22644365 0.86 KMT2A (0.52) GAAALDH1A1NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL29621649 0.85 KMT2A (0.51) GAAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL22644324 0.85 GAA (0.38) GAAALDH1A1GLAGRM4
SCHEMBL22644328 0.84 AR (0.47) BLMGRM4KDR
Hydrochloric Acid SCHEMBL29621803 0.84 IDO1 (0.41) GAAALDH1A1GLANPC1RAB9A
SCHEMBL22644329 0.83 GRM4 (0.45) ALDH1A1BLMGRM4SMN1; SMN2
SCHEMBL29458395 0.83 GRM4 (0.45) ALDH1A1BLMGRM4SMN1; SMN2
Hydrochloric Acid SCHEMBL29621818 0.82 GRM4 (0.44) ALDH1A1BLMGRM4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10377709-B2 Carboxamide derivatives and the use thereof as medicaments for the treatment of hepatitis B JANSSEN SCIENCES IRELAND UC (IE) 2019-08-13 — — US disclosed
US-20190002406-A1 CARBOXAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN SCIENCES IRELAND UC (IE) 2019-01-03 — — US disclosed
US-10071961-B2 Carboxamide derivatives and the use thereof as medicaments for the treatment of hepatitis B JANSSEN SCIENCES IRELAND UC (IE) 2018-09-11 — — US disclosed
US-20180065929-A1 CARBOXAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN SCIENCES IRELAND UC (IE) 2018-03-08 — — US disclosed
EP-3060547-B1 CARBOXAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN SCIENCES IRELAND UC (IE) 2017-10-11 — — EP disclosed
US-20170158634-A1 CARBOXAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN SCIENCES IRELAND UC (IE) 2017-06-08 — — US disclosed
US-9567299-B2 Carboxamide derivatives and the use thereof as medicaments for the treatment of hepatitis B JANSSEN SCIENCES IRELAND UC (IE) 2017-02-14 — — US disclosed
US-20160264522-A1 CARBOXAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN INFECTIOUS DISEASES BVBA (BE) 2016-09-15 — — US disclosed
EP-3060547-A1 CARBOXAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B Janssen Sciences Ireland UC (IE) 2016-08-31 — — EP disclosed
WO-2015059212-A1 CARBOXAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN R&D IRELAND (IE) 2015-04-30 — — 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 (6 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-20190002406-A1 CARBOXAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B HCCS, XDH, NR1H4 GAA 2500/4885HCRTR1 659/4885HCRTR2 1192/4885
US-10071961-B2 Carboxamide derivatives and the use thereof as medicaments for the treatment of hepatitis B HCCS, NR1H4, GLS2 GAA 2547/4885HCRTR1 514/4885HCRTR2 996/4885
US-20180065929-A1 CARBOXAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B HCCS, NR1H4, GLS2 GAA 2547/4885HCRTR1 514/4885HCRTR2 996/4885
US-10377709-B2 Carboxamide derivatives and the use thereof as medicaments for the treatment of hepatitis B HCCS, XDH, NR1H4 GAA 2500/4885HCRTR1 659/4885HCRTR2 1192/4885
US-20160264522-A1 CARBOXAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B HCCS, XDH, NR1H4 GAA 2500/4885HCRTR1 659/4885HCRTR2 1192/4885
US-20170158634-A1 CARBOXAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B HCCS, XDH, NR1H4 GAA 2500/4885HCRTR1 659/4885HCRTR2 1192/4885

“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.

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