SCHEMBL17600702

SCHEMBL17600702

O=C(c1ccccn1)N1CCC[C@H]1CO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.53
ABL1 P00519 1/20 0.52
RIN1 Q13671 1/20 0.52
SPHK2 Q9NRA0 1/20 0.49
POLB P06746 1/20 0.49
EPHX2 P34913 1/20 0.47
CNR2 P34972 1/20 0.46
NTRK1 P04629 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
RIPK1 Q13546 1/20 0.46
SCD5 Q86SK9 2/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
PDK2 Q15119 1/20 0.45
GRM5 P41594 2/20 0.45
RAB9A P51151 1/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44

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
SCHEMBL17600703 1.00 L3MBTL1 (0.53) L3MBTL1ABL1RIN1SPHK2POLB
SCHEMBL25793189 0.88 L3MBTL1 (0.51) L3MBTL1EPHX2MEN1KMT2ASCD5
SCHEMBL25796211 0.81 L3MBTL1 (0.53) L3MBTL1EPHX2MEN1KMT2ARIPK1
SCHEMBL28292565 0.80 L3MBTL1 (0.49) L3MBTL1NTRK1CYP3A4CHRNB2CHRNB4
SCHEMBL8636150 0.80 ABL1 (0.43) L3MBTL1ABL1RIN1SPHK2POLB
SCHEMBL3168186 0.79 DGAT1 (0.58) L3MBTL1EPHX2SCD5
SCHEMBL3168169 0.79 DGAT1 (0.58) L3MBTL1EPHX2SCD5
SCHEMBL4931440 0.78 SPHK2 (0.64) L3MBTL1SPHK2POLBMEN1KMT2A
SCHEMBL11447207 0.78 SPHK2 (0.64) L3MBTL1SPHK2POLBMEN1KMT2A
SCHEMBL4927632 0.78 L3MBTL1 (0.53) L3MBTL1SPHK2EPHX2CNR2SCD5

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-11053195-B2 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2021-07-06 US disclosed
EP-2970196-B1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS INC (US) 2020-11-25 EP disclosed
US-10450269-B1 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2019-10-22 US disclosed
US-20190300477-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2019-10-03 US disclosed
US-20190202782-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2019-07-04 US disclosed
US-20190010121-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOBLOGIN GLOBAL BLOOD THERAPEUTICS, INC. 2019-01-10 US disclosed
US-20160083343-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN Global Blood Therapeutics, Inc (US) 2016-03-24 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 (6 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-10450269-B1 Compounds and uses thereof for the modulation of hemoglobin HBG2, HBG1, HBB L3MBTL1 3065/4885ABL1 956/4885RIN1 4625/4885
US-20160083343-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB L3MBTL1 2996/4885ABL1 837/4885RIN1 4642/4885
US-11053195-B2 Compounds and uses thereof for the modulation of hemoglobin HBG2, HBG1, HBB L3MBTL1 2996/4885ABL1 837/4885RIN1 4642/4885
US-20190300477-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB L3MBTL1 3065/4885ABL1 956/4885RIN1 4625/4885
US-20190202782-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB L3MBTL1 2996/4885ABL1 837/4885RIN1 4642/4885
US-20190010121-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOBLOGIN HBG2, HBG1, HBB L3MBTL1 2138/4885ABL1 2747/4885RIN1 4646/4885

“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.