SCHEMBL2036393

SCHEMBL2036393

CSc1ccccc1C1CCCN1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDCD1LG2 Q9BQ51 1/20 0.43
▸ CD274 Q9NZQ7 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CHRM5 P08912 5/20 0.41
▸ CHRM3 P20309 5/20 0.41
▸ CHRM2 P08172 5/20 0.41
▸ CHRM1 P11229 4/20 0.41
▸ CHRM4 P08173 4/20 0.41
▸ TAAR1 Q96RJ0 2/20 0.40
▸ CHRNB2 P17787 1/20 0.40
▸ CHRNA7 P36544 1/20 0.40
▸ CHRNA4 P43681 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36

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
SCHEMBL19410056 1.00 PDCD1LG2 (0.43) PDCD1LG2CD274MEN1KMT2ACHRM5
SCHEMBL19409789 1.00 PDCD1LG2 (0.43) PDCD1LG2CD274MEN1KMT2ACHRM5
SCHEMBL21625412 0.78 MEN1 (0.41) PDCD1LG2CD274MEN1KMT2ACHRM5
SCHEMBL30100812 0.78 MEN1 (0.41) PDCD1LG2CD274MEN1KMT2ACHRM5
SCHEMBL28880003 0.78 MEN1 (0.41) PDCD1LG2CD274MEN1KMT2ACHRM5
SCHEMBL23323100 0.77 HTR2C (0.52) MEN1KMT2ACHRM5CHRM3CHRM2
SCHEMBL2325489 0.77 CHRM5 (0.44) PDCD1LG2CD274MEN1KMT2ACHRM5
SCHEMBL31444509 0.77 HTR2C (0.52) MEN1KMT2ACHRM5CHRM3CHRM2
SCHEMBL457960 0.77 CHRM5 (0.44) PDCD1LG2CD274MEN1KMT2ACHRM5
SCHEMBL3331668 0.77 HTR2C (0.52) MEN1KMT2ACHRM5CHRM3CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3436448-A1 COMPOUNDS FOR THE INHIBITION OF CYCLOPHILINS AND USES THEREOF Merck Patent GmbH (DE) 2019-02-06 — — EP disclosed
EP-3436462-A1 COMPOUNDS FOR THE INHIBITION OF CYCLOPHILINS AND USES THEREOF Merck Patent GmbH (DE) 2019-02-06 — — EP disclosed
CN-109071503-A Compound and application thereof for inhibiting cyclophilin 默克专利有限公司 2018-12-21 — — CN disclosed
EP-2516387-B1 INHIBITORS OF CYCLOPHILINS FOR USE IN THE PREVENTION AND/OR THE TREATMENT OF VIRAL PATHOLOGIES OR INFECTIONS INSTITUT NATIONAL DE LA SANTÉ ET DE LA RECH MÉDICALE (INSERM) (FR) 2018-02-21 — — EP disclosed
WO-2017173049-A1 COMPOUNDS FOR THE INHIBITION OF CYCLOPHILINS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-10-05 — — WO disclosed
US-20170283425-A1 COMPOUNDS FOR THE INHIBITION OF CYCLOPHILINS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-10-05 — — US disclosed
WO-2017173048-A1 COMPOUNDS FOR THE INHIBITION OF CYCLOPHILINS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-10-05 — — WO disclosed
US-20170283426-A1 COMPOUNDS FOR THE INHIBITION OF CYCLOPHILINS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-10-05 — — US disclosed
CN-105693597-A New inhibitors of cyclophilins and uses thereof 国家健康与医学研究院(INSERM) 2016-06-22 — — CN disclosed
US-8901295-B2 Inhibitors of cyclophilins and uses thereof INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2014-12-02 — — US disclosed
US-8802666-B2 Inhibitors of cyclophilins and uses thereof INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2014-08-12 — — US disclosed
US-20140179687-A1 New Inhibitors of Cyclophilins and Uses Thereof INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2014-06-26 — — US disclosed
US-20130018044-A1 NEW INHIBITORS OF CYCLOPHILINS AND USES THEREOF INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2013-01-17 — — US disclosed
EP-2516387-A2 NEW INHIBITORS OF CYCLOPHILINS AND USES THEREOF INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2012-10-31 — — EP disclosed
WO-2011076784-A2 NEW INHIBITORS OF CYCLOPHILINS AND USES THEREOF INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2011-06-30 — — 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 (4 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-20170283426-A1 COMPOUNDS FOR THE INHIBITION OF CYCLOPHILINS AND USES THEREOF PPIG, PPIH, FKBP2 PDCD1LG2 2618/4885CD274 3710/4885MEN1 4111/4885
US-20170283425-A1 COMPOUNDS FOR THE INHIBITION OF CYCLOPHILINS AND USES THEREOF PPIG, PPIH, FKBP2 PDCD1LG2 2618/4885CD274 3710/4885MEN1 4111/4885
US-20140179687-A1 New Inhibitors of Cyclophilins and Uses Thereof FKBP3, FKBP4, FKBP5 PDCD1LG2 2366/4885CD274 1415/4885MEN1 4127/4885
US-20130018044-A1 NEW INHIBITORS OF CYCLOPHILINS AND USES THEREOF FKBP3, FKBP4, FKBP5 PDCD1LG2 2366/4885CD274 1415/4885MEN1 4127/4885

“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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