SCHEMBL12017252

SCHEMBL12017252

Cc1ccccc1C1=N[C@@H](C(C)(C)C)CO1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.38
NPC1 O15118 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
MAPT P10636 3/20 0.38
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
CNR2 P34972 1/20 0.36
GAA P10253 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
P2RY1 P47900 1/20 0.33
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32

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
SCHEMBL13288309 0.84 MAPT (0.33) RAB9ANPC1SMN1; SMN2MAPTTAAR1
SCHEMBL17898018 0.84 MAPT (0.33) RAB9ANPC1SMN1; SMN2MAPTTAAR1
SCHEMBL31048519 0.84 MAPT (0.38) RAB9ANPC1SMN1; SMN2MAPTTAAR1
SCHEMBL28688006 0.83 RAB9A (0.38) RAB9ANPC1SMN1; SMN2MAPTCNR2
SCHEMBL28688009 0.83 RAB9A (0.38) RAB9ANPC1SMN1; SMN2MAPTCNR2
SCHEMBL28662764 0.83 MAPT (0.38) RAB9ANPC1SMN1; SMN2MAPTTAAR1
SCHEMBL27848741 0.83 MAPT (0.38) RAB9ANPC1SMN1; SMN2MAPTTAAR1
SCHEMBL14498459 0.83 MAPT (0.38) RAB9ANPC1SMN1; SMN2MAPTCNR2
SCHEMBL28703889 0.83 RAB9A (0.38) RAB9ANPC1SMN1; SMN2MAPTCNR2
SCHEMBL14648500 0.83 ALOX15 (0.40) RAB9ANPC1SMN1; SMN2MAPTTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160280623-A1 ASYMMETRIC CATALYTIC DECARBOXYLATIVE ALKYL ALKYLATION USING LOW CATALYST CONCENTRATIONS AND A ROBUST PRECATALYST CALIFORNIA INSTITUTE OF TECHNOLOGY 2016-09-29 US disclosed
US-9315525-B2 Synthetic route for the preparation of α-amino boronic acid derivatives via substituted alk-1-ynes LEK PHARMACEUTICALS D.D. (SI) 2016-04-19 US disclosed
US-8785674-B2 Process for hydrogenation of halogenoalkenes without dehalogenation LEK PHARMACEUTICALS D.D. (SL) 2014-07-22 US disclosed
US-20120231993-A1 NEW SYNTHETIC ROUTE FOR THE PREPARATION OF ALPHA-AMINO BORONIC ACID DERIVATIVES via SUBSTITUTED ALK-1-YNES LEK PHARMACEUTICALS D.D. (SI) 2012-09-13 US disclosed
US-20120220794-A1 PROCESS FOR HYDROGENATION OF HALOGENOALKENES WITHOUT DEHALOGENATION LEK PHARMACEUTICALS D.D. (SI) 2012-08-30 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 (3 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-20120220794-A1 PROCESS FOR HYDROGENATION OF HALOGENOALKENES WITHOUT DEHALOGENATION HDHD5, DEK, HCK RAB9A 3050/4885NPC1 3437/4885SMN1; SMN2 4852/4885
US-20160280623-A1 ASYMMETRIC CATALYTIC DECARBOXYLATIVE ALKYL ALKYLATION USING LOW CATALYST CONCENTRATIONS AND A ROBUST PRECATALYST IDH3B, IDH3A, CYP51A1 RAB9A 2964/4885NPC1 2640/4885SMN1; SMN2 3117/4885
US-20120231993-A1 NEW SYNTHETIC ROUTE FOR THE PREPARATION OF ALPHA-AMINO BORONIC ACID DERIVATIVES via SUBSTITUTED ALK-1-YNES ALK, ABL2, ALKBH3 RAB9A 1785/4885NPC1 2759/4885SMN1; SMN2 2311/4885

“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.