SCHEMBL541291

SCHEMBL541291

c1nc(-c2ccc(CN3CCOCC3)cc2)c[nH]1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.61
CHEK1 O14757 1/20 0.50
JAK2 O60674 1/20 0.47
MAPKAPK2 P49137 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LRRK2 Q5S007 1/20 0.46
CSF1R P07333 2/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TGFBR1 P36897 2/20 0.46
PARP1 P09874 1/20 0.46
MCHR1 Q99705 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
KCNJ1 P48048 1/20 0.43

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
SCHEMBL30859372 0.81 KMT2A (0.52) JAK2CSF1RMEN1KMT2AALDH1A1
SCHEMBL541066 0.79 MAPT (0.49) JAK2SMN1; SMN2MEN1USP2KMT2A
SCHEMBL15467001 0.76 HRH3 (0.87) HRH3SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL28310823 0.74 HRH3 (0.65) HRH3JAK2SMN1; SMN2MEN1USP2
SCHEMBL210965 0.73 HRH3 (0.59) HRH3JAK2MAPKAPK2SMN1; SMN2LRRK2
4-(Biphenyl-4-Ylmethyl)Morpholine SCHEMBL1691308 0.72 HRH3 (0.85) HRH3SMN1; SMN2TSHRALDH1A1MAPT
SCHEMBL27734125 0.71 HRH3 (0.61) HRH3CHEK1JAK2MAPKAPK2SMN1; SMN2
SCHEMBL21565733 0.71 HRH3 (0.58) HRH3JAK2MEN1USP2TSHR
SCHEMBL13984650 0.71 HRH3 (0.56) HRH3CHEK1JAK2SMN1; SMN2LRRK2
SCHEMBL29725202 0.70 HRH3 (0.55) HRH3CHEK1SMN1; SMN2MEN1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12528801-B2 Substituted azacyles as TRPM8 modulators GIVAUDAN SA (CH) 2026-01-20 US disclosed
US-20240132487-A1 SUBSTITUTED AZACYLES AS TRMP8 MODULATORS GIVAUDAN SA (CH) 2024-04-25 US disclosed
US-9139557-B2 Carboxamide compounds and their use as calpain inhibitors AbbVie Deutschland GmbH & Co. KG (DE) 2015-09-22 US disclosed
EP-2439205-B1 Carboxamide compounds and their use as calpain inhibitors ABBVIE DEUTSCHLAND (DE) 2015-03-11 EP disclosed
US-20130245003-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS ABBOTT GMBH & CO. KG (DE) 2013-09-19 US disclosed
US-8436034-B2 Carboxamide compounds and their use as calpain inhibitors ABBOTT GMBH & CO. KG (DE) 2013-05-07 US disclosed
EP-2121653-B1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS ABBOTT GMBH & CO KG (DE) 2012-02-08 EP disclosed
US-20100298326-A1 Carboxamide compounds and their use as calpain inhibitors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-11-25 US disclosed
US-7799809-B2 Carboxamide compounds and their use as calpain inhibitors ABBOTT GMBH & CO. KG (DE) 2010-09-21 US disclosed
US-7728012-B2 Carboxamide compounds and their use as calpain inhibitors ABBOTT GMBH & CO. KG (DE) 2010-06-01 US disclosed
EP-2121653-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS Abbott GmbH & Co. KG (DE) 2009-11-25 EP disclosed
US-20080234330-A1 Carboxamide compounds and their use as calpain inhibitors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2008-09-25 US disclosed
US-20080234329-A1 Carboxamide compounds and their use as calpain inhibitors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2008-09-25 US disclosed
WO-2008080969-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS ABBOTT GMBH & CO. KG (DE) 2008-07-10 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-20100298326-A1 Carboxamide compounds and their use as calpain inhibitors CAMK2A, CAPN2, CAPN1 HRH3 2483/4885CHEK1 3478/4885JAK2 3775/4885
US-20080234329-A1 Carboxamide compounds and their use as calpain inhibitors CAMK2A, CAPN2, CAPN1 HRH3 2483/4885CHEK1 3478/4885JAK2 3775/4885
US-20080234330-A1 Carboxamide compounds and their use as calpain inhibitors CAMK2A, CAPN2, CAPN1 HRH3 2483/4885CHEK1 3478/4885JAK2 3775/4885
US-20240132487-A1 SUBSTITUTED AZACYLES AS TRMP8 MODULATORS TRPM8, TRPM7, TRPM5 HRH3 1399/4885CHEK1 856/4885JAK2 4815/4885
US-12528801-B2 Substituted azacyles as TRPM8 modulators TRPM8, TRPM7, TRPM4 HRH3 452/4885CHEK1 649/4885JAK2 4527/4885
US-20130245003-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS CAMK2A, CAPN2, CAPN1 HRH3 2483/4885CHEK1 3478/4885JAK2 3775/4885

“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.