SCHEMBL2962999

SCHEMBL2962999

CCOc1cc(C(=O)OC)cc2[nH]ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 3/20 0.44
NPC1 O15118 1/20 0.44
KMT2A Q03164 4/20 0.41
TSHR P16473 2/20 0.41
MEN1 O00255 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NUDT1 P36639 1/20 0.40
MAPT P10636 1/20 0.40
POLB P06746 2/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40

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
SCHEMBL3567460 0.85 TUBB4A (0.49) CREBBPNPC1KMT2AMAPTPOLB
SCHEMBL6868530 0.83 HPGD (0.55) NPC1KMT2ATSHRMEN1L3MBTL1
SCHEMBL11450490 0.82 NPC1 (0.44) CREBBPNPC1TSHRMAPTPOLB
SCHEMBL15297323 0.82 HSD17B2 (0.43) KMT2AMEN1L3MBTL1MAPK1NUDT1
SCHEMBL11540405 0.81 MTOR (0.39) CREBBPNPC1KMT2ATSHRMEN1
SCHEMBL16759765 0.81 ULK1 (0.47) CREBBPNPC1KMT2AMEN1MAPK1
SCHEMBL15297504 0.81 HSD17B2 (0.54) NPC1KMT2AMEN1L3MBTL1MAPK1
SCHEMBL6870413 0.80 CREBBP (0.39) CREBBPNPC1KMT2AMEN1MAPT
SCHEMBL3578888 0.78 LMNA (0.53) CREBBPNPC1KMT2AMEN1L3MBTL1
SCHEMBL6418376 0.78 NR4A2 (0.51) CREBBPNPC1L3MBTL1ATMTDP1

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-7772253-B2 Amide derivatives as somatostatin receptor 5 antagonists HOFFMAN-LA ROCHE INC. (US) 2010-08-10 US claimed
EP-1893603-B1 PIPERIDIN-4-YL-AMIDE DERIVATIVES AND THEIR USE AS SST RECEPTOR SUBTYPE 5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2009-10-14 EP claimed
US-20060276508-A1 Amide derivatives as somatostatin receptor 5 antagonists F. HOFFMANN-LA ROCHE AG (CH) 2006-12-07 US claimed
EP-3074400-B1 OCTAHYDRO-CYCLOBUTA [1,2-C;3,4-C']DIPYRROLE DERIVATIVES AS AUTOTAXIN INHIBITORS HOFFMANN LA ROCHE (CH) 2017-11-15 EP disclosed
US-7772253-B2 Amide derivatives as somatostatin receptor 5 antagonists HOFFMAN-LA ROCHE INC. (US) 2010-08-10 US disclosed
EP-1893603-B1 PIPERIDIN-4-YL-AMIDE DERIVATIVES AND THEIR USE AS SST RECEPTOR SUBTYPE 5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2009-10-14 EP disclosed
US-20060276508-A1 Amide derivatives as somatostatin receptor 5 antagonists F. HOFFMANN-LA ROCHE AG (CH) 2006-12-07 US disclosed
EP-1280796-B1 PYRIMIDINYL METHYL INDOLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2004-03-24 EP disclosed
US-6703397-B2 REACTING A NITRILE GROUP CONTAINING INDOLE DERIVEATIVE WITH GUANIDINE OR SALT; USEFUL AS PROHYLAXIS OR THERAPEUTICAL TREATMENT OF INFECTIOUS DISEASES BASILEA PHARMACEUTICA AG (CH) 2004-03-09 US disclosed
US-20030119857-A1 Pyrimidinyl methyl indole derivatives with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2003-06-26 US disclosed
EP-1280796-A1 PYRIMIDINYL METHYL INDOLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY Basilea Pharmaceutica AG (CH) 2003-02-05 EP disclosed
WO-2001083474-A1 PYRIMIDINYL METHYL INDOLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2001-11-08 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 (2 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-20060276508-A1 Amide derivatives as somatostatin receptor 5 antagonists SSTR5, SSTR3, SSTR1 CREBBP 3644/4885NPC1 2416/4885KMT2A 3271/4885
US-20030119857-A1 Pyrimidinyl methyl indole derivatives with antibacterial activity IDO1, IDO2, AANAT CREBBP 2199/4885NPC1 2939/4885KMT2A 1379/4885

“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.