SCHEMBL4984050

SCHEMBL4984050

N=C(N)NN1CCc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.51
TMPRSS2 O15393 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAOA P21397 1/20 0.45
SLC6A2 P23975 1/20 0.45
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
USP2 O75604 1/20 0.42
CDK4 P11802 1/20 0.42
ALOX15 P16050 1/20 0.42
CCND1 P24385 1/20 0.42
NOTUM Q6P988 1/20 0.41
TSHR P16473 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL7954952 0.90 SIGMAR1 (0.54) SIGMAR1ALDH1A1NOTUMSMN1; SMN2HPGD
SCHEMBL5120536 0.84 NOTUM (0.50) SIGMAR1ALDH1A1MEN1KMT2ANOTUM
SCHEMBL11348161 0.83 SIGMAR1 (0.43) SIGMAR1ALDH1A1MEN1KMT2AUSP2
SCHEMBL11640812 0.81 SIGMAR1 (0.50) SIGMAR1TMPRSS2HTR1AADRA2ACYP2D6
Hydrochloric Acid SCHEMBL11344383 0.79 SIGMAR1 (0.47) SIGMAR1SLC6A2ALDH1A1MEN1KMT2A
Iodide SCHEMBL11335424 0.79 SIGMAR1 (0.47) SIGMAR1SLC6A2ALDH1A1MEN1KMT2A
SCHEMBL11641672 0.78 CHRM2 (0.41) NOTUMNPC1RAB9A
SCHEMBL11414299 0.78 BCAT2 (0.48) SIGMAR1TMPRSS2HTR1AADRA2ACYP2D6
SCHEMBL29985725 0.77 ALDH1A1 (0.51) ALDH1A1MEN1KMT2ANOTUMTSHR
SCHEMBL7126729 0.77 ALDH1A1 (0.51) ALDH1A1MEN1KMT2ANOTUMTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351743-B1 Therapeutic guanidines WYETH (US) 2008-04-01 US disclosed
US-20070265348-A1 N-(4-sec-butylphenyl)-N-benzylguanidine; modulate, particularly inhibit, the release of neurotransmitter such as glutamate; neurodegenerative disease: Parkinson's, Huntington's, Alzheimer's diseases, Amyotrophic Lateral Sclerosis, Down's Syndrome, epilepsy, atrophy, HIV SCION PHARMACEUTICALS, INC, A DELAWARE CORPORATION 2007-11-15 US disclosed
US-6288123-B1 CENTRAL NERVOUS SYSTEM DISORDERS CAMBRIDGE NEUROSCIENCES, INC. 2001-09-11 US disclosed
US-6174924-B1 Therapeutic guanidines CAMBRIDGE NEUROSCIENCE, INC. 2001-01-16 US disclosed
US-6143791-A NERVOUS SYSTEM DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-11-07 US disclosed
EP-0000151-B1 1-SUBSTITUTED AMINOINDOLINES, PROCESS FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANDOZ AG (CH) 1981-05-20 EP disclosed
US-4112111-A ANTIHYPERTENSIVE SANDOZ LTD. (CH) 1978-09-05 US 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 (1 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-20070265348-A1 N-(4-sec-butylphenyl)-N-benzylguanidine; modulate, particularly inhibit, the release of neurotransmitter such as glutamate; neurodegenerative disease: Parkinson's, Huntington's, Alzheimer's diseases, Amyotrophic Lateral Sclerosis, Down's Syndrome, epilepsy, atrophy, HIV GAP43, NLN, HTT SIGMAR1 3253/4885TMPRSS2 2962/4885HTR1A 242/4885

“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.