SCHEMBL8725935

SCHEMBL8725935

CCCC(=O)NC1CCN(C)CC1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.50
MTNR1A P48039 2/20 0.49
MTNR1B P49286 2/20 0.49
SIGMAR1 Q99720 2/20 0.46
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GNAI3 P08754 1/20 0.45
GNAO1 P09471 1/20 0.45
GNAI1 P63096 1/20 0.45
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
NAMPT P43490 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
SCHEMBL16420406 0.89 GNAI3 (0.54) ACKR3SIGMAR1ALDH1A1SMN1; SMN2GNAI3
SCHEMBL10274562 0.89 MTNR1A (0.49) ACKR3MTNR1AMTNR1BL3MBTL1SMN1; SMN2
SCHEMBL10265277 0.85 SIGMAR1 (0.49) ACKR3MTNR1AMTNR1BSIGMAR1ALDH1A1
SCHEMBL5988081 0.84
SCHEMBL14199968 0.84 SMN1; SMN2 (0.56) MTNR1AMTNR1BALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL20581686 0.84 SMN1; SMN2 (0.56) MTNR1AMTNR1BALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL15279721 0.84 ACKR3 (0.52) ACKR3SIGMAR1ALDH1A1SMN1; SMN2HPGD
SCHEMBL21730556 0.84 EPHX1 (0.50) MTNR1AMTNR1BALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL13621162 0.84 ALDH1A1 (0.62) ACKR3SIGMAR1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL13116786 0.84 MTNR1A (0.47) MTNR1AMTNR1BALDH1A1L3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10172830-B2 Pyrazolone compounds having human neutrophil elastase inhibitory properties CHIESI FARMACEUTICI S.P.A. (IT) 2019-01-08 US disclosed
US-9834565-B2 Tricyclic heterocycles as bet protein inhibitors INCYTE CORPORATION (US) 2017-12-05 US disclosed
US-20170340611-A1 NOVEL COMPOUNDS CHIESI FARMACEUTICI S.P.A. (IT) 2017-11-30 US disclosed
US-9802919-B1 Compounds CHIESI FARMACEUTICI S.P.A. (IT) 2017-10-31 US disclosed
US-20170158710-A1 TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION 2017-06-08 US disclosed
US-9527864-B2 Tricyclic heterocycles as BET protein inhibitors INCYTE CORPORATION (US) 2016-12-27 US disclosed
US-20100273765-A1 Rifamycin analogs and uses thereof ACTIVBIOTICS, INC. 2010-10-28 US disclosed
US-7271165-B2 Rifamycin analogs and uses thereof ACTIVBIOTICS, INC. (US) 2007-09-18 US disclosed
US-20070142392-A1 Uses of rifamycins ACTIVBIOTICS, INC. (US) 2007-06-21 US disclosed
EP-0707586-B1 POSITIVE INOTROPIC AND LUSITROPIC PYRROLOQUINOLINONE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 1998-09-16 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 (5 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-20170158710-A1 TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS BRD3, BRD1, BRD2 ACKR3 3098/4885MTNR1A 4317/4885MTNR1B 3973/4885
US-20070142392-A1 Uses of rifamycins TNF, TLR6, IL6 ACKR3 1263/4885MTNR1A 4360/4885MTNR1B 4178/4885
US-20170340611-A1 NOVEL COMPOUNDS SERPINB1, ELANE, MPO ACKR3 840/4885MTNR1A 2427/4885MTNR1B 1774/4885
US-20100273765-A1 Rifamycin analogs and uses thereof RIF1, HDAC5, AADAC ACKR3 2231/4885MTNR1A 3828/4885MTNR1B 3400/4885
US-10172830-B2 Pyrazolone compounds having human neutrophil elastase inhibitory properties SERPINB1, ELANE, EPX ACKR3 975/4885MTNR1A 3363/4885MTNR1B 2722/4885

“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.