SCHEMBL4404868

SCHEMBL4404868

O=C1Cc2cc(CCCl)ccc2N1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 3/20 0.57
▸ MAOB P27338 3/20 0.51
▸ HTR1A P08908 7/20 0.48
▸ DRD2 P14416 6/20 0.48
▸ HTR2A P28223 6/20 0.48
▸ ADRA1D P25100 1/20 0.48
▸ ADRA1A P35348 1/20 0.48
▸ ADRA1B P35368 1/20 0.48
▸ PGR P06401 1/20 0.48
▸ PDE3B Q13370 1/20 0.47
▸ PDE3A Q14432 1/20 0.47
▸ SMYD3 Q9H7B4 1/20 0.46
▸ PDK2 Q15119 1/20 0.46
▸ EPHX2 P34913 1/20 0.45
▸ CMA1 P23946 1/20 0.45
▸ GRIA1 P42261 2/20 0.44
▸ CACNG8 Q8WXS5 2/20 0.44
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42

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
SCHEMBL5728887 0.90 AHR (0.54) AHRMAOBHTR1ADRD2HTR2A
SCHEMBL8670836 0.90 AHR (0.59) AHRMAOBHTR1ADRD2HTR2A
SCHEMBL4889909 0.89 AHR (0.53) AHRMAOBHTR1ADRD2HTR2A
SCHEMBL24570672 0.86 AHR (0.61) AHRMAOBHTR1ADRD2HTR2A
SCHEMBL5466359 0.85 MAOA (0.50) MAOBHTR1ADRD2HTR2APDE3B
SCHEMBL7349900 0.83 AHR (0.53) AHRMAOBHTR1ADRD2HTR2A
SCHEMBL260866 0.83 AHR (0.53) AHRMAOBHTR1ADRD2HTR2A
SCHEMBL15941764 0.83 SMYD3 (0.55) AHRMAOBHTR1ADRD2HTR2A
SCHEMBL5766779 0.83 MAPT (0.50) AHRMAOBHTR1ADRD2HTR2A
SCHEMBL4551283 0.81 SMYD3 (0.50) AHRMAOBHTR1ADRD2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1476162-B1 CONTROLLED SYNTHESIS OF ZIPRASIDONE PFIZER PROD INC (US) 2007-04-18 — — EP claimed
CN-1635892-A Controlled synthesis of ziprasidone and compositions thereof PFIZER (US) 2005-07-06 — — CN claimed
EP-1476162-A1 CONTROLLED SYNTHESIS OF ZIPRASIDONE AND COMPOSITIONS THEREOF Pfizer Products Inc. (US) 2004-11-17 — — EP claimed
US-20040048876-A1 Ziprasidone composition and synthetic controls PFIZER INC. 2004-03-11 — — US claimed
WO-2003070246-A1 CONTROLLED SYNTHESIS OF ZIPRASIDONE AND COMPOSITIONS THEREOF PFIZER PRODUCTS INC. (US) 2003-08-28 — — WO claimed
EP-3115361-B1 HETEROCYCLIC COMPOUNDS, AND PREPARATION METHOD AND USE THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2019-10-23 — — EP disclosed
US-10174011-B2 Heterocyclic compounds, process for preparation of the same and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2019-01-08 — — US disclosed
US-20170158680-A1 HETEROCYCLIC COMPOUNDS, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2017-06-08 — — US disclosed
US-20170158680-A1 HETEROCYCLIC COMPOUNDS, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2017-06-08 — — US disclosed
EP-3115361-A1 HETEROCYCLIC COMPOUNDS, AND PREPARATION METHOD AND USE THEREOF Shanghai Institute Of Materia Medica Chinese Academy of Sciences (CN) 2017-01-11 — — EP disclosed
WO-2015131856-A1 HETEROCYCLIC COMPOUNDS, AND PREPARATION METHOD AND USE THEREOF 中国科学院上海药物研究所 2015-09-11 — — WO disclosed
CN-104892589-A Heterocyclic compound, preparation method therefor and use thereof SHANGHAI INST MATERIA MEDICA 2015-09-09 — — CN disclosed
US-5147881-A 4-(1,2-BENZISOXAZOLYL)PIPERIDINE ANTIPSYCHOTIC AGENTS PFIZER INC (US) 1992-09-15 — — US disclosed
WO-1992008718-A1 4-(1,2-BENZISOXAZOLYL)PIPERIDINE ANTIPSYCHOTIC AGENTS PFIZER INC. (US) 1992-05-29 — — WO disclosed
EP-0281309-B1 PIPERAZINYL-HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 1991-12-27 — — EP disclosed
WO-1990006303-A1 ARYLPIPERIDINE DERIVATIVES PFIZER INC. (US) 1990-06-14 — — WO disclosed
EP-0372776-A2 Arylpiperidine derivatives PFIZER INC. (US) 1990-06-13 — — EP disclosed
US-4883795-A Piperazinyl-heterocyclic compounds PFIZER INC. (US) 1989-11-28 — — US disclosed
US-4831031-A Aryl piperazinyl-(C2 or C4) alkylene heterocyclic compounds having neuroleptic activity PFIZER INC. (US) 1989-05-16 — — US disclosed
EP-0281309-A1 Piperazinyl-heterocyclic compounds PFIZER INC. (US) 1988-09-07 — — EP 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-20040048876-A1 Ziprasidone composition and synthetic controls SLC39A3, HAMP, NISCH AHR 1643/4885MAOB 789/4885HTR1A 138/4885
US-10174011-B2 Heterocyclic compounds, process for preparation of the same and use thereof CYP11B2, CYP11B1, ADCYAP1R1 AHR 337/4885MAOB 97/4885HTR1A 1013/4885
US-20170158680-A1 HETEROCYCLIC COMPOUNDS, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF CYP11B2, CYP11B1, ADCYAP1R1 AHR 337/4885MAOB 97/4885HTR1A 1013/4885

“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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