SCHEMBL3135310

SCHEMBL3135310

N[C@@H](Cc1ccccc1)CN1CCOCC1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.46
DPP4 P27487 3/20 0.43
MMP8 P22894 1/20 0.43
TACR2 P21452 1/20 0.42
ACE P12821 1/20 0.41
AGTR2 P50052 1/20 0.40
FKBP1A P62942 1/20 0.40
ARG1 P05089 3/20 0.39
ARG2 P78540 1/20 0.39
EPHX1 P07099 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
FAP Q12884 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
LTA4H P09960 2/20 0.38
MAOB P27338 1/20 0.38
ALPI P09923 1/20 0.38
PKM P14618 1/20 0.38
PTGS1 P23219 1/20 0.38

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
SCHEMBL3135303 1.00 F2 (0.46) F2DPP4MMP8TACR2ACE
SCHEMBL10447086 0.81 F2 (0.62) F2DPP4ACEFAPDPP8
SCHEMBL10447085 0.81 F2 (0.62) F2DPP4ACEFAPDPP8
SCHEMBL16714071 0.80 CD274 (0.53) MMP8AGTR2FKBP1ACD274LTA4H
SCHEMBL338033 0.80 CD274 (0.53) MMP8AGTR2FKBP1ACD274LTA4H
SCHEMBL6949282 0.80 CD274 (0.53) MMP8AGTR2FKBP1ACD274LTA4H
SCHEMBL22903479 0.76 F2 (0.41) F2DPP4DPP7MAOB
SCHEMBL22903685 0.76 F2 (0.41) F2DPP4DPP7MAOB
SCHEMBL3126604 0.76 FKBP1A (0.43) F2ACEFKBP1ACD274LTA4H
SCHEMBL3133434 0.76 FKBP1A (0.43) F2ACEFKBP1ACD274LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 F2 1568/4885DPP4 3592/4885MMP8 2960/4885
US-20040235839-A1 Beta-carbolines useful for treating inflammatory disease NFKBIA, IRAK2, IRAK1 F2 3517/4885DPP4 3610/4885MMP8 4554/4885
US-20100093713-A1 BETA-CARBOLINES USEFUL FOR TREATING INFLAMMATORY DISEASE NFKBIA, NFKB2, IKBKG F2 3070/4885DPP4 3199/4885MMP8 4530/4885

“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.