SCHEMBL3136359

SCHEMBL3136359

C[C@H](N)CN1CCOC[C@H]1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 1/20 0.43
ALDH1A1 P00352 2/20 0.38
F2 P00734 2/20 0.34
CD274 Q9NZQ7 2/20 0.33
PDCD1 Q15116 1/20 0.33
LMNA P02545 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
ANPEP P15144 1/20 0.32
REN P00797 3/20 0.31
ACE P12821 5/20 0.31
KDM4E B2RXH2 1/20 0.31
LTA4H P09960 1/20 0.31
MAPT P10636 1/20 0.31
PEPD P12955 1/20 0.31
ALOX15 P16050 1/20 0.31
PTGS1 P23219 1/20 0.31
HTR2A P28223 1/20 0.31

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
SCHEMBL3133434 1.00 FKBP1A (0.43) FKBP1AALDH1A1F2CD274PDCD1
SCHEMBL3133438 1.00 FKBP1A (0.43) FKBP1AALDH1A1F2CD274PDCD1
SCHEMBL3126598 1.00 FKBP1A (0.43) FKBP1AALDH1A1F2CD274PDCD1
SCHEMBL3126604 1.00 FKBP1A (0.43) FKBP1AALDH1A1F2CD274PDCD1
SCHEMBL23698615 0.88 ALDH1A1 (0.35) FKBP1AALDH1A1F2CA12CA1
SCHEMBL23698589 0.86 ALDH1A1 (0.34) FKBP1AALDH1A1F2CA12CA1
SCHEMBL23698636 0.84 FKBP1A (0.33) FKBP1AALDH1A1F2
SCHEMBL18709829 0.78 FKBP1A (0.42) FKBP1AALDH1A1CD274PDCD1CA12
SCHEMBL15114564 0.78 FKBP1A (0.42) FKBP1AALDH1A1CD274PDCD1CA12
SCHEMBL12426957 0.76 F2 (0.49) F2LMNARENACEKDM4E

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
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
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 FKBP1A 4364/4885ALDH1A1 351/4885F2 1568/4885
US-20040235839-A1 Beta-carbolines useful for treating inflammatory disease NFKBIA, IRAK2, IRAK1 FKBP1A 649/4885ALDH1A1 2529/4885F2 3517/4885
US-20100093713-A1 BETA-CARBOLINES USEFUL FOR TREATING INFLAMMATORY DISEASE NFKBIA, NFKB2, IKBKG FKBP1A 682/4885ALDH1A1 3426/4885F2 3070/4885

“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.