SCHEMBL14006091

SCHEMBL14006091

O=C(NCCCCN1CCOCC1)c1ccc2cc[nH]c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.61
▸ MAPT P10636 1/20 0.61
▸ HSD17B10 Q99714 1/20 0.61
▸ HDAC1 Q13547 2/20 0.59
▸ HDAC2 Q92769 2/20 0.59
▸ HDAC3 O15379 1/20 0.59
▸ HDAC4 P56524 1/20 0.59
▸ HDAC7 Q8WUI4 1/20 0.59
▸ HDAC10 Q969S8 1/20 0.59
▸ HDAC11 Q96DB2 1/20 0.59
▸ HDAC8 Q9BY41 1/20 0.59
▸ HDAC6 Q9UBN7 1/20 0.59
▸ HDAC9 Q9UKV0 1/20 0.59
▸ HDAC5 Q9UQL6 1/20 0.59
▸ CYP2D6 P10635 2/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ TSHR P16473 1/20 0.58
▸ CYP2C9 P11712 1/20 0.57
▸ DRD3 P35462 2/20 0.56

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
SCHEMBL14006088 0.92 HDAC1 (0.58) ALDH1A1HDAC1HDAC2HDAC3HDAC4
SCHEMBL3536679 0.92 CYP2C19 (0.69) ALDH1A1MAPTHSD17B10CYP2D6CYP1A2
SCHEMBL14006096 0.79 DRD2 (0.62) ALDH1A1MAPTHSD17B10HDAC1HDAC2
SCHEMBL14385089 0.79 ALDH1A1 (0.77) ALDH1A1MAPTHSD17B10KDM4ESMN1; SMN2
SCHEMBL30265074 0.78 TSHR (0.58) ALDH1A1CYP2D6TSHRCYP2C9KDM4E
SCHEMBL18507051 0.78 L3MBTL1 (0.60) ALDH1A1MAPTHSD17B10HDAC1HDAC2
SCHEMBL14006094 0.78 DRD2 (0.78) CYP2D6CYP1A2TSHRDRD3DRD2
SCHEMBL31047584 0.77 HDAC1 (0.72) ALDH1A1HSD17B10HDAC1HDAC2HDAC3
SCHEMBL31047585 0.77 HDAC1 (0.72) ALDH1A1HSD17B10HDAC1HDAC2HDAC3
SCHEMBL6478559 0.76 CYP2D6 (0.53) ALDH1A1CYP2D6CYP1A2CYP2C19TSHR

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-20080275028-A1 Modulators or Alpha7 Nicotinic Acetylcholine Receptors and Therapeutic Uses Thereof SIENA BIOTECH S.P.A. (IT) 2008-11-06 — — US disclosed
US-20080275028-A1 Modulators or Alpha7 Nicotinic Acetylcholine Receptors and Therapeutic Uses Thereof SIENA BIOTECH S.P.A. (IT) 2008-11-06 — — 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-20080275028-A1 Modulators or Alpha7 Nicotinic Acetylcholine Receptors and Therapeutic Uses Thereof CHRNA7, CHRNA5, CHRNA1 ALDH1A1 2091/4885MAPT 545/4885HSD17B10 2313/4885

“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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