SCHEMBL22609013

SCHEMBL22609013

c1nc2ccc(C3CCNC3)cc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.48
▸ CHRNA4 P43681 1/20 0.48
▸ HTR3A P46098 1/20 0.46
▸ PDE4B Q07343 1/20 0.44
▸ PRKCI P41743 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ RAD52 P43351 1/20 0.42
▸ CYP2D6 P10635 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ MMP12 P39900 1/20 0.41
▸ EPHX1 P07099 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ NAMPT P43490 1/20 0.40
▸ XDH P47989 1/20 0.40
▸ QPCT Q16769 3/20 0.39
▸ HSD11B1 P28845 1/20 0.39

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
SCHEMBL29399373 0.91 QDPR (0.47) CHRNB2CHRNA4PRKCIKDM4EMAPT
Hydrochloric Acid SCHEMBL29396594 0.89 KDM4E (0.47) CHRNB2CHRNA4PRKCIKDM4EMAPT
SCHEMBL22609014 0.88 CHRNB2 (0.48) CHRNB2CHRNA4HTR3APDE4BCYP2D6
Hydrochloric Acid SCHEMBL29625119 0.88 KDM4E (0.46) CHRNB2CHRNA4PRKCIKDM4EMAPT
SCHEMBL29776618 0.78 QDPR (0.47) CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL29396583 0.77 QDPR (0.46) CHRNB2CHRNA4
SCHEMBL5309433 0.73 QPCT (0.41) PRKCIKDM4EMAPTRAD52MMP12
SCHEMBL22004714 0.71 PRMT5 (0.42) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL22608972 0.70 KDM4E (0.47) HTR3APDE4BKDM4EMAPTCYP2D6
SCHEMBL22928253 0.70 HTR3A (0.46) HTR3APDE4BCYP2D6SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109956931-B Tetrahydropyrrole compound, preparation method thereof, pharmaceutical composition and application thereof 迈第康(上海)生物医药科技有限公司 2021-07-16 — — CN disclosed
US-20210024498-A1 TETRAHYDROPYRROLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF MEDICONNS SHANGHAI BIOPHARMACEUTICAL CO LTD (CN) 2021-01-28 — — US disclosed
US-20210024498-A1 TETRAHYDROPYRROLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF MEDICONNS SHANGHAI BIOPHARMACEUTICAL CO LTD (CN) 2021-01-28 — — US disclosed
EP-3733670-A1 TETRAHYDROPYRROLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF Mediconns (Shanghai) Biopharmaceutical Co., Ltd (CN) 2020-11-04 — — EP disclosed
EP-3733670-A1 TETRAHYDROPYRROLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF Mediconns (Shanghai) Biopharmaceutical Co., Ltd (CN) 2020-11-04 — — EP disclosed
CN-109956931-A Tetrahydropyrrole compound, preparation method, pharmaceutical composition and purposes 迈第康(上海)生物医药科技有限公司 2019-07-02 — — CN 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 (1 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-20210024498-A1 TETRAHYDROPYRROLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF PRLHR, DRD2, AVPR2 CHRNB2 468/4885CHRNA4 178/4885HTR3A 123/4885

“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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