SCHEMBL1799002

SCHEMBL1799002

C[C@@H]1CC[C@@H](C)N1C(=O)CCl

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
LMNA P02545 1/20 0.46
HPGD P15428 2/20 0.42
GLA P06280 1/20 0.42
HTT P42858 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PHGDH O43175 1/20 0.38
KMT2A Q03164 2/20 0.38
RECQL P46063 1/20 0.38
ACE P12821 1/20 0.37
DPP4 P27487 1/20 0.37
ATM Q13315 1/20 0.36
TSHR P16473 1/20 0.36
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL11831626 1.00 ALDH1A1 (0.52) ALDH1A1LMNAHPGDGLAHTT
SCHEMBL4177794 0.91 ALDH1A1 (0.51) ALDH1A1LMNAHPGDGLAKMT2A
SCHEMBL7135300 0.91 ALDH1A1 (0.51) ALDH1A1LMNAHPGDGLAKMT2A
SCHEMBL6205600 0.82 ALDH1A1 (0.42) ALDH1A1LMNAHPGDGLAHTT
SCHEMBL647647 0.82 ALDH1A1 (0.42) ALDH1A1LMNAHPGDGLAHTT
SCHEMBL11844024 0.82 ALDH1A1 (0.48) ALDH1A1LMNAHPGDGLAHTT
SCHEMBL6204327 0.81 DPP4 (0.60) ALDH1A1DPP4
SCHEMBL648829 0.81 DPP4 (0.60) ALDH1A1DPP4
SCHEMBL17026385 0.80 ALDH1A1 (0.42) ALDH1A1LMNAHPGDGLAHTT
SCHEMBL17026384 0.80 ALDH1A1 (0.42) ALDH1A1LMNAHPGDGLAHTT

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 7 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
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 ALDH1A1 351/4885LMNA 1964/4885HPGD 2273/4885
US-20040235839-A1 Beta-carbolines useful for treating inflammatory disease NFKBIA, IRAK2, IRAK1 ALDH1A1 2529/4885LMNA 3865/4885HPGD 3047/4885
US-20100093713-A1 BETA-CARBOLINES USEFUL FOR TREATING INFLAMMATORY DISEASE NFKBIA, NFKB2, IKBKG ALDH1A1 3426/4885LMNA 4078/4885HPGD 2569/4885

“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.