SCHEMBL10204881

SCHEMBL10204881

COCc1cc(C)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.39
▸ PRKCE Q02156 2/20 0.38
▸ MYLK Q15746 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ PRKCG P05129 1/20 0.38
▸ PRKCA P17252 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ HTR2C P28335 2/20 0.38
▸ SLC6A4 P31645 2/20 0.38
▸ IDO1 P14902 1/20 0.37
▸ ACHE P22303 1/20 0.35
▸ RXRA P19793 1/20 0.35
▸ GRIN1 Q05586 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35
▸ LMNA P02545 2/20 0.35

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
SCHEMBL12121014 0.83 IDO1 (0.42) TAAR1PRKCEMYLKALDH1A1MAPT
SCHEMBL14949126 0.82 IDO1 (0.40) TAAR1MAPTTDP1HTR2CSLC6A4
Ammonia Solution, Strong SCHEMBL28443748 0.82 IDO1 (0.41) TAAR1PRKCEMYLKALDH1A1MAPT
SCHEMBL12016019 0.81 IDO1 (0.44) PRKCEMYLKALDH1A1MAPTMEN1
SCHEMBL8256542 0.80 KDM4E (0.41) TAAR1PRKCEMYLKALDH1A1MAPT
SCHEMBL2561232 0.79 MEN1 (0.42) PRKCEMYLKALDH1A1MAPTMEN1
SCHEMBL18213815 0.79 IDO1 (0.38) TAAR1MAPTMEN1KMT2ATDP1
SCHEMBL27479249 0.79 TAAR1 (0.36) TAAR1MAPTTDP1HTR2CSLC6A4
SCHEMBL791955 0.78 TAAR1 (0.52) TAAR1ALDH1A1MEN1KMT2ATDP1
SCHEMBL5691042 0.78 USP28 (0.38) PRKCEMYLKALDH1A1MAPTMEN1

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3759109-B1 SUBSTITUTED PYRROLIZINE COMPOUNDS AS HBV REPLICATION INHIBITORS GILEAD SCIENCES INC (US) 2023-08-30 — — EP disclosed
US-20230148157-A1 SUBSTITUTED PYRROLIZINE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2023-05-11 — — US disclosed
US-20210147429-A1 SUBSTITUTED PYRROLIZINE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2021-05-20 — — US disclosed
US-10836769-B2 Substituted pyrrolizine compounds and uses thereof GILEAD SCIENCES, INC. (US) 2020-11-17 — — US disclosed
US-20190292187-A1 SUBSTITUTED PYRROLIZINE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2019-09-26 — — US disclosed
WO-2019165374-A1 SUBSTITUTED PYRROLIZINE COMPOUNDS AS HBV REPLICATION INHIBITORS GILEAD SCIENCES, INC. (US) 2019-08-29 — — WO disclosed
EP-2483263-B1 HETEROCYCLIC COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2018-07-18 — — EP disclosed
US-20160326103-A1 CARBOCYCLIC SULFONE ROR GAMMA MODULATORS BRISTROL-MYERS SQUIBB COMPANY (US) 2016-11-10 — — US disclosed
EP-1720545-B1 BICYCLIC AND BRIDGED NITROGEN HETEROCYCLES CHEMOCENTRYX INC (US) 2014-10-29 — — EP disclosed
EP-1982978-B1 PYRIDONE DERIVATIVE AND HERBICIDE KUMIAI CHEMICAL INDUSTRY CO (JP) 2014-08-27 — — EP disclosed
US-20100222592-A1 Pyridone Derivative and Herbicide KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-09-02 — — US disclosed
US-20100010222-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT OF DISEASES ASSOCIATED WITH DECREASE IN BONE MASS COMPRISING EP4 AGONIST AS ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2010-01-14 — — US disclosed
US-20100010222-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT OF DISEASES ASSOCIATED WITH DECREASE IN BONE MASS COMPRISING EP4 AGONIST AS ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2010-01-14 — — US disclosed
US-7608637-B2 Pharmaceutical composition for treatment of diseases associated with decrease in bone mass comprising EP4 agonist as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2009-10-27 — — US disclosed
US-7608637-B2 Pharmaceutical composition for treatment of diseases associated with decrease in bone mass comprising EP4 agonist as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2009-10-27 — — US disclosed
US-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 — — US disclosed
US-20090118284-A1 Novel compounds that are ERK inhibitors MERCK SHARP & DOHME LLC 2009-05-07 — — US disclosed
EP-1982978-A1 PYRIDONE DERIVATIVE AND HERBICIDE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2008-10-22 — — EP disclosed
US-7435831-B2 Bicyclic and bridged nitrogen heterocycles CHEMOCENTRYX, INC. (US) 2008-10-14 — — US disclosed
US-7435830-B2 Bicyclic and bridged nitrogen heterocycles CHEMOCENTRYX, INC. (US) 2008-10-14 — — 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 (8 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-20210147429-A1 SUBSTITUTED PYRROLIZINE COMPOUNDS AND USES THEREOF HMBS, DHFR, HCCS TAAR1 4652/4885PRKCE 2537/4885MYLK 3903/4885
US-10836769-B2 Substituted pyrrolizine compounds and uses thereof HMBS, DHFR, HCCS TAAR1 4652/4885PRKCE 2537/4885MYLK 3903/4885
US-20090118284-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPK10 TAAR1 2976/4885PRKCE 392/4885MYLK 3195/4885
US-20230148157-A1 SUBSTITUTED PYRROLIZINE COMPOUNDS AND USES THEREOF HMBS, DHFR, HCCS TAAR1 4652/4885PRKCE 2537/4885MYLK 3903/4885
US-20160326103-A1 CARBOCYCLIC SULFONE ROR GAMMA MODULATORS RORC, RORB, RORA TAAR1 902/4885PRKCE 458/4885MYLK 3229/4885
US-20190292187-A1 SUBSTITUTED PYRROLIZINE COMPOUNDS AND USES THEREOF HMBS, DHFR, HCCS TAAR1 4652/4885PRKCE 2537/4885MYLK 3903/4885
US-20100222592-A1 Pyridone Derivative and Herbicide PDXK, PNPO, CBR3 TAAR1 560/4885PRKCE 3586/4885MYLK 4205/4885
US-20100010222-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT OF DISEASES ASSOCIATED WITH DECREASE IN BONE MASS COMPRISING EP4 AGONIST AS ACTIVE INGREDIENT PTGER4, PTGER1, PTGER2 TAAR1 2821/4885PRKCE 355/4885MYLK 2735/4885

“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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