SCHEMBL8256709

SCHEMBL8256709

Cc1ccc(OCC2CCCO2)cc1F

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.49
NPC1 O15118 7/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
MAPT P10636 2/20 0.49
LMNA P02545 1/20 0.49
TDP1 Q9NUW8 2/20 0.47
HRH3 Q9Y5N1 1/20 0.47
GRM5 P41594 1/20 0.45
ALDH1A1 P00352 1/20 0.45
SCN9A Q15858 1/20 0.45
EGLN2 Q96KS0 1/20 0.43

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
SCHEMBL22040914 1.00 RAB9A (0.49) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL12697069 0.89 RAB9A (0.49) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL12697071 0.89 RAB9A (0.49) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL12697070 0.89 RAB9A (0.49) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL15985671 0.85 GRM5 (0.47) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL2833115 0.84 HRH3 (0.46) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL22053037 0.84 HRH3 (0.46) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL13862073 0.84 HRH3 (0.46) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL22053065 0.84 HRH3 (0.43) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL22040910 0.84 HRH3 (0.43) RAB9ANPC1SMN1; SMN2MAPTLMNA

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
US-11834449-B2 TYK2 inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-12-05 US disclosed
US-11053241-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2021-07-06 US disclosed
US-20200172540-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-06-04 US disclosed
EP-1622912-B1 2-ALKYNYL-AND 2-ALKENYL-PYRAZOLO- [4,3-E ] -1,2,4-TRIAZOLO- [1,5-C] -PYRIMIDINE ADENOSINE A2A RECEPTOR ANTAGONISTS SCHERING CORP (US) 2009-05-27 EP disclosed
US-7368449-B2 2-alkynyl- and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2008-05-06 US disclosed
US-7368449-B2 2-alkynyl- and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2008-05-06 US disclosed
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION 2004-11-04 US disclosed
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION 2004-11-04 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 (4 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-11834449-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 RAB9A 3462/4885NPC1 4595/4885SMN1; SMN2 1145/4885
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA1 RAB9A 595/4885NPC1 739/4885SMN1; SMN2 837/4885
US-11053241-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 RAB9A 3462/4885NPC1 4595/4885SMN1; SMN2 1145/4885
US-20200172540-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 RAB9A 3462/4885NPC1 4595/4885SMN1; SMN2 1145/4885

“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.