SCHEMBL4986085

SCHEMBL4986085

CCCCOc1ccc(N(Cc2ccc(C(C)(C)C)cc2)C(=N)NN2CCOCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.46
POLB P06746 2/20 0.46
ALDH1A1 P00352 5/20 0.45
USP2 O75604 2/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPK1 P28482 3/20 0.41
CYP1A2 P05177 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
HTR2A P28223 1/20 0.41
SCN1A P35498 1/20 0.41
HTR2B P41595 1/20 0.41
KCNH2 Q12809 1/20 0.41
SCN2A Q99250 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
SCN3A Q9NY46 1/20 0.41

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
SCHEMBL4982299 0.87 RAB9A (0.43) RAB9APOLBALDH1A1MEN1KMT2A
SCHEMBL4984037 0.87 QPCT (0.40) RAB9APOLBALDH1A1SMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL4982357 0.86 RAB9A (0.43) RAB9APOLBALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL5008656 0.86 QPCT (0.40) RAB9APOLBALDH1A1SMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL7951985 0.86 RAB9A (0.37) RAB9APOLBALDH1A1USP2LMNA
SCHEMBL4983867 0.83 POLB (0.36) RAB9APOLBALDH1A1USP2LMNA
SCHEMBL4987155 0.83 OPRM1 (0.41) ALDH1A1MEN1KMT2ASIGMAR1HRH3
SCHEMBL4985419 0.82 NPC1 (0.47) RAB9AALDH1A1SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL4985917 0.81 MEN1 (0.46) RAB9AALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4982934 0.80 ALDH1A1 (0.47) RAB9AALDH1A1LMNASMN1; SMN2MEN1

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 6 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-6787569-B1 INHIBITORS OF NEUROTRANSMITTER (E.G., GLUTAMATE) RELEASE FROM ISCHEMIC NEURONAL CELLS; N,N-DISUBSTITUTED GUANIDINES; NEUROLOGICAL CONDITIONS SUCH AS EPILEPSY, NEURODEGENERATIVE CONDITIONS AND/OR NERVE CELL DEATH FROM STROKE OR HEART ATTACK CAMBRIDGE NEUROSCIENCE, INC. 2004-09-07 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

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 RAB9A 103/4885POLB 1946/4885ALDH1A1 4175/4885

“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.