SCHEMBL1799182

SCHEMBL1799182

O=C[C@H]1NCCc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRCP P42785 8/20 0.53
GAA P10253 2/20 0.51
TSHR P16473 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
GID4 Q8IVV7 1/20 0.47
SLC22A1 O15245 1/20 0.47
RECQL P46063 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 1/20 0.44
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
OPRM1 P35372 1/20 0.42

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
SCHEMBL95059 1.00 PRCP (0.53) PRCPGAATSHRNPSR1GID4
SCHEMBL28967711 0.89 PRCP (0.42) PRCPGAATSHRNPSR1GID4
SCHEMBL4354734 0.81 PRCP (0.56) PRCPGAATSHRNPSR1GID4
SCHEMBL28762516 0.81 PRCP (0.58) PRCPGAATSHRNPSR1GID4
SCHEMBL27808728 0.81 PRCP (0.53) PRCPGAATSHRNPSR1GID4
SCHEMBL23285173 0.81 PRCP (0.53) PRCPGAATSHRNPSR1GID4
SCHEMBL28252983 0.81 PRCP (0.53) PRCPGAATSHRNPSR1GID4
SCHEMBL3087062 0.81 CYP2D6 (0.38) PRCPTSHRMAPTKDM4EALDH1A1
SCHEMBL30435099 0.81 CYP2D6 (0.38) PRCPTSHRMAPTKDM4EALDH1A1
SCHEMBL13281275 0.79 PRCP (0.50) PRCPGAATSHRNPSR1GID4

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-7951801-B2 For therapy of inflammatory disease and cancer MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-05-31 US disclosed
EP-2206713-A1 Beta-carbolines useful for treating inflammatory disease Millennium Pharmaceuticals, Inc. (US) 2010-07-14 EP disclosed
US-7727985-B2 Beta-carbolines useful for treating inflammatory disease MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed
US-20100093713-A1 BETA-CARBOLINES USEFUL FOR TREATING INFLAMMATORY DISEASE MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-04-15 US disclosed
EP-1735311-B1 BETA-CARBOLINES USEFUL FOR TREATING INFLAMMATORY DISEASE MILLENNIUM PHARM INC (US) 2010-03-31 EP disclosed
EP-1735311-A1 BETA-CARBOLINES USEFUL FOR TREATING INFLAMMATORY DISEASE MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-12-27 EP disclosed
CN-1802375-A Beta-carbolines useful for treating inflammatory disease MILLENNIUM PHARM INC (US) 2006-07-12 CN disclosed
EP-1611134-A1 BETA-CARBOLINES USEFUL FOR TREATING INFLAMMATORY DISEASE MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-01-04 EP disclosed
WO-2005111037-A1 BETA-CARBOLINES USEFUL FOR TREATING INFLAMMATORY DISEASE MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-11-24 WO disclosed
US-20050239781-A1 Beta-carbolines useful for treating inflammatory disease MILLENNIUM PHARMACEUTICALS, INC. 2005-10-27 US disclosed
US-20040235839-A1 Beta-carbolines useful for treating inflammatory disease MILLENNIUM PHARMACEUTICALS, INC. 2004-11-25 US disclosed
WO-2004092167-A1 BETA-CARBOLINES USEFUL FOR TREATING INFLAMMATORY DISEASE MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-10-28 WO 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-20050239781-A1 Beta-carbolines useful for treating inflammatory disease IL1B, IL1A, ADRA2B PRCP 2005/4885GAA 1324/4885TSHR 2728/4885
US-20040235839-A1 Beta-carbolines useful for treating inflammatory disease NFKBIA, IRAK2, IRAK1 PRCP 3704/4885GAA 4494/4885TSHR 3141/4885
US-20100093713-A1 BETA-CARBOLINES USEFUL FOR TREATING INFLAMMATORY DISEASE NFKBIA, NFKB2, IKBKG PRCP 3596/4885GAA 4504/4885TSHR 2390/4885

“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.