SCHEMBL10243800

SCHEMBL10243800

O=C(c1ccc2c(c1)OCCO2)N1[C@@H]2CC[C@H]1C[C@@H](c1ccc(F)cc1)C2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ LMNA P02545 2/20 0.53
▸ GAA P10253 1/20 0.53
▸ MAOB P27338 3/20 0.51
▸ CTNNB1 P35222 1/20 0.50
▸ HPGD P15428 3/20 0.47
▸ TSHR P16473 2/20 0.47
▸ MAOA P21397 1/20 0.46
▸ RAB9A P51151 4/20 0.46
▸ ATM Q13315 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ RECQL P46063 1/20 0.45
▸ SLC18A3 Q16572 1/20 0.45
▸ SIGMAR1 Q99720 1/20 0.45
▸ MGLL Q99685 1/20 0.44
▸ NPC1 O15118 3/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ STAT1 P42224 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
SCHEMBL17350779 1.00 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2LMNAGAAMAOB
SCHEMBL17350962 0.93 CASP3 (0.51) ALDH1A1SMN1; SMN2LMNAGAAHPGD
SCHEMBL10244052 0.93 CASP3 (0.51) ALDH1A1SMN1; SMN2LMNAGAAHPGD
SCHEMBL10243945 0.89 TSHR (0.48) ALDH1A1SMN1; SMN2LMNAGAACTNNB1
SCHEMBL17350804 0.89 TSHR (0.48) ALDH1A1SMN1; SMN2LMNAGAACTNNB1
SCHEMBL2683635 0.89 TSHR (0.48) ALDH1A1SMN1; SMN2LMNAGAAMAOB
SCHEMBL10243619 0.89 TSHR (0.48) ALDH1A1SMN1; SMN2LMNAGAAMAOB
SCHEMBL10243843 0.89 LMNA (0.54) ALDH1A1SMN1; SMN2LMNAGAAMAOB
SCHEMBL17350919 0.89 LMNA (0.54) ALDH1A1SMN1; SMN2LMNAGAAMAOB
SCHEMBL17350898 0.88 RAB9A (0.51) ALDH1A1SMN1; SMN2LMNAGAAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2318403-B1 Aryl- and heteroarylcarbonyl derivatives of substituted nortropanes, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INT (DE) 2015-12-23 — — EP disclosed
US-20120115853-A1 Aryl- and Heteroarylcarbonyl derivatives of substituted nortropanes, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-10 — — 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 (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-20120115853-A1 Aryl- and Heteroarylcarbonyl derivatives of substituted nortropanes, medicaments containing such compounds and their use HSD11B1, HSD11B2, HSD17B1 ALDH1A1 141/4885SMN1; SMN2 3849/4885LMNA 2595/4885

“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.

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