SCHEMBL5518001

SCHEMBL5518001

CC[CH]N1CCN(c2ccccn2)CC1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.60
▸ MAPT P10636 4/20 0.60
▸ ALDH1A1 P00352 3/20 0.60
▸ HSD17B10 Q99714 1/20 0.55
▸ PLD1 Q13393 1/20 0.53
▸ GAA P10253 3/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ POLB P06746 3/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ SORD Q00796 1/20 0.50
▸ DHFR P00374 1/20 0.50

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
SCHEMBL21353591 0.82 — —
SCHEMBL15800694 0.82 PLD1 (0.73) KDM4EMAPTALDH1A1HSD17B10PLD1
SCHEMBL29857922 0.82 PLD1 (0.73) KDM4EMAPTALDH1A1HSD17B10PLD1
SCHEMBL3867807 0.79 KDM4E (0.64) KDM4EMAPTALDH1A1HSD17B10PLD1
SCHEMBL29974045 0.77 PLD1 (0.58) KDM4EMAPTALDH1A1HSD17B10PLD1
SCHEMBL3258812 0.77 PLD1 (0.58) KDM4EMAPTALDH1A1HSD17B10PLD1
SCHEMBL159733 0.77 PLD1 (0.61) KDM4EMAPTALDH1A1HSD17B10PLD1
SCHEMBL29904791 0.77 PLD1 (0.61) KDM4EMAPTALDH1A1HSD17B10PLD1
SCHEMBL10053231 0.77 KCNH2 (0.64) KDM4EMAPTALDH1A1HSD17B10POLB
Hydrochloric Acid SCHEMBL20337933 0.76 PLD1 (0.56) KDM4EMAPTALDH1A1HSD17B10PLD1

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
US-7241770-B2 Hydronopol derivatives as agonists on human ORL1 receptors SOLVAY PHARMACEUTICALS GMBH (DE) 2007-07-10 — — US disclosed
US-20050131004-A1 Hydronopol derivatives as agonists on human ORL1 receptors SOLVAY PHARMACEUTICALS GMBH. 2005-06-16 — — 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-20050131004-A1 Hydronopol derivatives as agonists on human ORL1 receptors OPRL1, ORMDL3, OGFRL1 KDM4E 4873/4885MAPT 1841/4885ALDH1A1 498/4885

“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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