SCHEMBL10130189

SCHEMBL10130189

C[C@H]1CCN(C2CCOCC2)C1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.37
ALDH1A1 P00352 2/20 0.35
PKM P14618 1/20 0.35
HRH3 Q9Y5N1 8/20 0.33
KCNH2 Q12809 3/20 0.33
LMNA P02545 2/20 0.33
MCHR1 Q99705 1/20 0.33
CNR1 P21554 1/20 0.33
CHRM2 P08172 3/20 0.33
CHRM4 P08173 3/20 0.33
CHRM1 P11229 3/20 0.33
KDM4E B2RXH2 3/20 0.33
CHRM5 P08912 2/20 0.33
CHRM3 P20309 2/20 0.33
KDM2B Q8NHM5 1/20 0.33
RAB9A P51151 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL12717671 1.00 ADRA1A (0.37) ADRA1AALDH1A1PKMHRH3KCNH2
SCHEMBL10130217 1.00 ADRA1A (0.37) ADRA1AALDH1A1PKMHRH3KCNH2
SCHEMBL17828048 0.88 ADRA1A (0.47) ADRA1AALDH1A1PKMHRH3KCNH2
SCHEMBL12449654 0.88 ADRA1A (0.47) ADRA1AALDH1A1PKMHRH3KCNH2
SCHEMBL12843 0.88 ADRA1A (0.47) ADRA1AALDH1A1PKMHRH3KCNH2
SCHEMBL17828053 0.88 KDM2B (0.35) ADRA1AKCNH2CNR1KDM2B
SCHEMBL736093 0.86 KDM4E (0.41) HRH3KCNH2LMNACHRM2CHRM4
SCHEMBL10140535 0.84 HRH3 (0.33) ADRA1AALDH1A1PKMHRH3KCNH2
SCHEMBL13940073 0.84
SCHEMBL26817815 0.84

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
US-11834450-B2 Compounds having ((3-nitrophenyl)sulfonyl)acetamide as BCL-2 inhibitors Eil Therapeutics, Inc. (US) 2023-12-05 US disclosed
EP-2499146-B1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2016-09-21 EP disclosed
US-9073940-B2 Tricyclic pyrazol amine derivatives MERCK SERONO SA (CH) 2015-07-07 US disclosed
US-9073940-B2 Tricyclic pyrazol amine derivatives MERCK SERONO SA (CH) 2015-07-07 US disclosed
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2012-09-20 US disclosed
EP-1955697-B1 2-AMINOBENZAMIDE DERIVATIVES AS VANILLOID RECEPTOR 1 (VR1) INHIBITORS USEFUL FOR THE TREATMENT OF PAIN OR BLADDER FUNCTION DISORDER ASTELLAS PHARMA INC (JP) 2012-05-02 EP disclosed
US-8106190-B2 2-aminobenzamide derivatives ASTELLAS PHARMA INC. (JP) 2012-01-31 US disclosed
US-8106190-B2 2-aminobenzamide derivatives ASTELLAS PHARMA INC. (JP) 2012-01-31 US disclosed
US-20110086842-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-14 US disclosed
US-20090233900-A1 2-AMINOBENZAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-09-17 US disclosed
US-20090233900-A1 2-AMINOBENZAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-09-17 US disclosed
US-20090163465-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 US disclosed
US-20090149438-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-11 US disclosed
US-7521457-B2 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-21 US disclosed
EP-1955697-A1 2-AMINOBENZAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-08-13 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 (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-11834450-B2 Compounds having ((3-nitrophenyl)sulfonyl)acetamide as BCL-2 inhibitors BCL2, BCL2A1, BCL2L1 ADRA1A 4381/4885ALDH1A1 722/4885PKM 2776/4885
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES PI4KB, MTOR, PI4KA ADRA1A 3308/4885ALDH1A1 3185/4885PKM 727/4885
US-20090163465-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP ADRA1A 823/4885ALDH1A1 971/4885PKM 297/4885
US-20110086842-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP ADRA1A 823/4885ALDH1A1 971/4885PKM 297/4885
US-20090149438-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP ADRA1A 823/4885ALDH1A1 971/4885PKM 297/4885
US-20090233900-A1 2-AMINOBENZAMIDE DERIVATIVE TRPV1, TRPV2, TRPV5 ADRA1A 387/4885ALDH1A1 1210/4885PKM 4591/4885

“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.