SCHEMBL2396914

SCHEMBL2396914

Oc1ccc2[nH]c3c(c2c1)CCNC3

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.64
CYP1A2 P05177 1/20 0.64
CYP2D6 P10635 1/20 0.64
THRB P10828 1/20 0.64
ALOX15 P16050 1/20 0.64
TSHR P16473 1/20 0.64
NFKB1 P19838 1/20 0.64
RECQL P46063 1/20 0.64
PMP22 Q01453 1/20 0.64
HSD17B10 Q99714 1/20 0.64
NISCH Q9Y2I1 2/20 0.63
KDM4E B2RXH2 1/20 0.63
HTR5A P47898 1/20 0.63
NR2E1 Q9Y466 1/20 0.63
ADRA2A P08913 1/20 0.52
ADRA2B P18089 1/20 0.52
ADRA2C P18825 1/20 0.52
HTR7 P34969 1/20 0.52
HTR2A P28223 8/20 0.50
HTR2C P28335 7/20 0.50

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
Hydrochloric Acid SCHEMBL5682360 0.98 LMNA (0.62) LMNACYP1A2CYP2D6THRBALOX15
SCHEMBL30228634 0.89 TAAR1 (0.59) LMNACYP1A2CYP2D6THRBALOX15
Hydrochloric Acid SCHEMBL8508190 0.87 TAAR1 (0.62) LMNACYP1A2CYP2D6THRBALOX15
SCHEMBL30228791 0.84 ROCK2 (0.47) LMNACYP1A2CYP2D6THRBALOX15
SCHEMBL25425215 0.82 LMNA (0.62) LMNACYP1A2CYP2D6THRBALOX15
SCHEMBL7818620 0.82 LMNA (0.67) LMNACYP1A2CYP2D6THRBALOX15
SCHEMBL2969878 0.82 LMNA (0.62) LMNACYP1A2CYP2D6THRBALOX15
SCHEMBL1798062 0.82 LMNA (0.62) LMNACYP1A2CYP2D6THRBALOX15
SCHEMBL30685317 0.82 LMNA (0.62) LMNACYP1A2CYP2D6THRBALOX15
SCHEMBL1872944 0.82 MAPT (0.64) LMNACYP1A2CYP2D6THRBALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110223166-A1 Methods for Preventing Pressure-Induced Apoptotic Neural-Cell Death MINAS THEODORE CORONEO (AU) 2011-09-15 US disclosed
US-7994196-B2 Indazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 US disclosed
US-7994196-B2 Indazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 US disclosed
US-20070173537-A1 Indazole compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2007-07-26 US disclosed
US-20070173537-A1 Indazole compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2007-07-26 US disclosed
US-7084154-B2 2-(aminomethyl) arylamide analgesics PHARMACOPEIA DRUG DISCLOVERY, INC. (US) 2006-08-01 US disclosed
US-20060013814-A1 Methods for preventing pressure-induced apoptotic neural-cell death DAVIES COLLISON CAVE (AU) 2006-01-19 US disclosed
US-20040167119-A1 2-(aminomethyl) arylamide analgesics PHARMACOPEIA, INC (US) 2004-08-26 US disclosed
WO-2004071445-A2 2-(AMINOMETHYL)ARYLAMIDE ANALGESICS PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2004-08-26 WO disclosed
US-5304379-A A reservoir consists of tetracaine and metabolic modulator to inhibit monoamine oxidase enzyme ALZA CORPORATION (US) 1994-04-19 US disclosed
US-4885154-A COADMINISTERING A METABOLIC MODULATOR ALZA CORPORATION (US) 1989-12-05 US disclosed
EP-0331391-A1 Method for reducing sensitization or irritation in transdermal drug delivery and means therefor ALZA CORPORATION (US) 1989-09-06 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-20070173537-A1 Indazole compound and pharmaceutical use thereof CYP3A5, CYP3A43, TP53 LMNA 3390/4885CYP1A2 62/4885CYP2D6 49/4885
US-20060013814-A1 Methods for preventing pressure-induced apoptotic neural-cell death BAX, CASP3, BCL2 LMNA 233/4885CYP1A2 4872/4885CYP2D6 4867/4885
US-20040167119-A1 2-(aminomethyl) arylamide analgesics OPRL1, OPRM1, OPRK1 LMNA 4524/4885CYP1A2 18/4885CYP2D6 40/4885
US-20110223166-A1 Methods for Preventing Pressure-Induced Apoptotic Neural-Cell Death BAX, CASP3, BCL2 LMNA 233/4885CYP1A2 4872/4885CYP2D6 4867/4885

“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.