SCHEMBL1998149

SCHEMBL1998149

CC(F)Oc1ccc(Br)c(C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
HPGD P15428 2/20 0.43
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
KMT2A Q03164 3/20 0.40
HSD17B10 Q99714 3/20 0.39
TSHR P16473 2/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL1994530 0.87 ALDH1A1 (0.53) ALDH1A1HPGDLCKFYNKMT2A
SCHEMBL31485885 0.86 TAS2R14 (0.49) ALDH1A1HPGDLCKFYNKMT2A
SCHEMBL4649906 0.86 ALDH1A1 (0.71) ALDH1A1HPGDLCKFYNKMT2A
SCHEMBL31412888 0.81 ALDH1A1 (0.50) ALDH1A1HPGDLCKFYNKMT2A
SCHEMBL227238 0.79 SMN1; SMN2 (0.59) ALDH1A1HPGDLCKFYNKMT2A
SCHEMBL29053386 0.78 ALDH1A1 (0.46) ALDH1A1HPGDLCKFYNKMT2A
SCHEMBL29053416 0.77 ALDH1A1 (0.40) ALDH1A1HPGDLCKFYNKMT2A
SCHEMBL29053400 0.75 MAPK1 (0.59) ALDH1A1HPGDHSD17B10TSHRTHRA
SCHEMBL4649128 0.75 TSHR (0.60) ALDH1A1HPGDKMT2AHSD17B10TSHR
SCHEMBL17143019 0.75 IGF2BP2 (0.49) ALDH1A1LCKFYNPOLBTAS2R14

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960402-B2 Trans-5'-(2-fluoroethoxy)-3'-oxo-N-methyl-N-(2-piperidin-1-ylethyl)-spiro[cyclohexane-1,1'-(3'H)-isobenzofuran]-4-carboxamide hydrochloride; histamine H3 receptor antagonist or inverse agonist; metabolic disorders; circulatory diseases; nervous system diseases; psychological disorders; sleep disorders BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-06-14 US disclosed
EP-1795527-B1 CARBAMOYL-SUBSTITUTED SPIRO DERIVATIVE BANYU PHARMA CO LTD (JP) 2009-04-22 EP disclosed
US-20080171753-A1 Carbamoyl-Substituted Spiro Derivative MSD K.K. (JP) 2008-07-17 US disclosed
EP-1795527-A1 CARBAMOYL-SUBSTITUTED SPIRO DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-06-13 EP 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 (1 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-20080171753-A1 Carbamoyl-Substituted Spiro Derivative HRH3, HRH4, HRH2 ALDH1A1 1954/4885HPGD 1045/4885LCK 2038/4885

“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.