SCHEMBL2755822

SCHEMBL2755822

CC(C)=NN1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 4/20 0.33
LMNA P02545 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL14000819 0.97
SCHEMBL19039324 0.90
SCHEMBL4986702 0.73 LMNA (0.39) SMN1; SMN2LMNA
SCHEMBL14000832 0.73 CYP1A2 (0.42) SMN1; SMN2NPC1RAB9A
SCHEMBL15439041 0.73 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1LMNANPC1RAB9A
SCHEMBL15439040 0.73 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1LMNANPC1RAB9A
Hydrochloric Acid SCHEMBL28556911 0.71 LMNA (0.38) SMN1; SMN2LMNA
SCHEMBL14000831 0.71 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1LMNANPC1RAB9A
SCHEMBL14799398 0.69 SMN1; SMN2 (0.32) SMN1; SMN2LMNANPC1RAB9A
SCHEMBL14799659 0.69 SMN1; SMN2 (0.32) SMN1; SMN2LMNANPC1RAB9A

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180104242-A1 4-(2-AMINO-TETRAHYDRONAPHTHALENYL)PYRIMIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER, CONTAINING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2018-04-19 US disclosed
US-20170183312-A1 HERBICIDAL SUBSTITUTED 3-ARYLPYRAZOLES FMC CORPORATION 2017-06-29 US disclosed
US-8383813-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2013-02-26 US disclosed
US-8383813-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2013-02-26 US disclosed
US-20120004253-A1 Novel Fused Pyrrolocarbazoles CEPHALON, INC. (US) 2012-01-05 US disclosed
US-20120004253-A1 Novel Fused Pyrrolocarbazoles CEPHALON, INC. (US) 2012-01-05 US disclosed
US-8044064-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2011-10-25 US disclosed
US-8044064-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2011-10-25 US disclosed
EP-1704148-B1 NOVEL FUSED PYRROLOCARBAZOLES CEPHALON INC (US) 2011-03-02 EP disclosed
US-20100152196-A1 Novel Fused Pyrrolocarbazoles CEPHALON, INC. (US) 2010-06-17 US disclosed
US-7449471-B2 5-phenylpyrimidines, their preparation, compositions comprising them and their use BASF AKTIENGESELLSCHAFT (DE) 2008-11-11 US disclosed
US-7449471-B2 5-phenylpyrimidines, their preparation, compositions comprising them and their use BASF AKTIENGESELLSCHAFT (DE) 2008-11-11 US disclosed
US-20070167421-A1 Pyrimidine derivatives and use thereof as agricultural and horticultural fungicides ITO MASHITO 2007-07-19 US disclosed
US-20070167421-A1 Pyrimidine derivatives and use thereof as agricultural and horticultural fungicides ITO MASHITO 2007-07-19 US disclosed
US-20070149551-A1 5-PHENYLPYRIMIDINES, THEIR PREPARATION, COMPOSITIONS COMPRISING THEM AND THEIR USE GYPSER ANDREAS 2007-06-28 US disclosed
US-20070149551-A1 5-PHENYLPYRIMIDINES, THEIR PREPARATION, COMPOSITIONS COMPRISING THEM AND THEIR USE GYPSER ANDREAS 2007-06-28 US disclosed
US-7169802-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2007-01-30 US disclosed
US-7169802-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2007-01-30 US disclosed
WO-2005063763-A1 NOVEL FUSED PYRROLOCARBAZOLES CEPHALON, INC. (US) 2005-07-14 WO disclosed
EP-0902028-A1 Tetrazoline herbicides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-03-17 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-20180104242-A1 4-(2-AMINO-TETRAHYDRONAPHTHALENYL)PYRIMIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER, CONTAINING SAME AS ACTIVE INGREDIENT ALK, NPM1, EML4 SMN1; SMN2 3920/4885ALDH1A1 950/4885LMNA 2158/4885
US-20100152196-A1 Novel Fused Pyrrolocarbazoles PC, PYCR1, CYP11B2 SMN1; SMN2 2026/4885ALDH1A1 467/4885LMNA 3910/4885
US-20070149551-A1 5-PHENYLPYRIMIDINES, THEIR PREPARATION, COMPOSITIONS COMPRISING THEM AND THEIR USE CBR1, CBR3, NTPCR SMN1; SMN2 3598/4885ALDH1A1 356/4885LMNA 2453/4885
US-20070167421-A1 Pyrimidine derivatives and use thereof as agricultural and horticultural fungicides DPYD, DHFR, TYMP SMN1; SMN2 3837/4885ALDH1A1 697/4885LMNA 4712/4885
US-20120004253-A1 Novel Fused Pyrrolocarbazoles PC, PYCR1, CYP11B2 SMN1; SMN2 2026/4885ALDH1A1 467/4885LMNA 3910/4885
US-20170183312-A1 HERBICIDAL SUBSTITUTED 3-ARYLPYRAZOLES CYP1B1, CYP1A1, TYR SMN1; SMN2 4542/4885ALDH1A1 389/4885LMNA 3763/4885

“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.