SCHEMBL1995314

SCHEMBL1995314

CCC1(NC(C)=O)CCN(Cc2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 6/20 0.57
ALDH1A1 P00352 3/20 0.51
CHRM2 P08172 1/20 0.49
CHRM3 P20309 1/20 0.49
OPRL1 P41146 1/20 0.49
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
POLB P06746 1/20 0.48
CYP3A4 P08684 4/20 0.48
HSD17B10 Q99714 1/20 0.48
NPFFR1 Q9GZQ6 3/20 0.47
NPFFR2 Q9Y5X5 3/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
TSHR P16473 2/20 0.47
USP2 O75604 1/20 0.46
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL6543308 0.89 CYP2D6 (0.57) CYP2D6ALDH1A1CHRM2CHRM3OPRL1
SCHEMBL1991966 0.83 CYP2D6 (0.59) CYP2D6ALDH1A1CHRM2CHRM3OPRL1
SCHEMBL6703813 0.82 NPFFR1 (0.61) CYP2D6ALDH1A1CHRM2CHRM3OPRL1
Hydrochloric Acid SCHEMBL8416135 0.82 CYP2D6 (0.58) CYP2D6ALDH1A1CHRM2CHRM3OPRL1
SCHEMBL4631243 0.81 POLB (0.64) CYP2D6ALDH1A1CHRM2CHRM3OPRL1
Hydrochloric Acid SCHEMBL9317938 0.80 POLB (0.62) CYP2D6ALDH1A1CHRM2CHRM3OPRL1
SCHEMBL7628069 0.79 CYP2D6 (0.49) CYP2D6ALDH1A1OPRM1TSHRSIGMAR1
SCHEMBL953425 0.78 CYP2D6 (0.53) CYP2D6ALDH1A1CHRM2CHRM3OPRL1
SCHEMBL17082420 0.78 CYP2D6 (0.53) CYP2D6ALDH1A1CHRM2CHRM3OPRL1
SCHEMBL17163855 0.78 CYP2D6 (0.53) CYP2D6ALDH1A1CHRM2CHRM3OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3564232-B1 BMP-SIGNAL-INHIBITING COMPOUND RIKEN (JP) 2022-01-26 EP disclosed
US-10954216-B2 BMP-signal-inhibiting compound RIKEN (JP) 2021-03-23 US disclosed
US-20190337926-A1 BMP-SIGNAL-INHIBITING COMPOUND RIKEN (JP) 2019-11-07 US disclosed
EP-3564232-A1 BMP-SIGNAL-INHIBITING COMPOUND Riken (JP) 2019-11-06 EP disclosed
WO-2011079105-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 WO disclosed
WO-2011079105-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 WO disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 US disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 US disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 US disclosed
US-20040180925-A1 Dipeptidylpeptidase-IV inhibitor KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-09-16 US disclosed
EP-1354882-A1 DIPEPTIDYL PEPTIDASE IV INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-10-22 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 (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-10954216-B2 BMP-signal-inhibiting compound BMP1, BMP2, BMP4 CYP2D6 4851/4885ALDH1A1 4324/4885CHRM2 4574/4885
US-20190337926-A1 BMP-SIGNAL-INHIBITING COMPOUND BMP1, BMP2, BMPR2 CYP2D6 4859/4885ALDH1A1 4102/4885CHRM2 4028/4885
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS TPMT, TSLP, THPO CYP2D6 7/4885ALDH1A1 297/4885CHRM2 2837/4885
US-20040180925-A1 Dipeptidylpeptidase-IV inhibitor DPP4, DPP3, DPP9 CYP2D6 960/4885ALDH1A1 925/4885CHRM2 4671/4885

“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.