SCHEMBL5597121

SCHEMBL5597121

[CH2]CCOCCCN(C)C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HRH3 Q9Y5N1 4/20 0.35
DNM1 Q05193 3/20 0.35
LSS P48449 1/20 0.34
HTR1B P28222 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL4269757 0.93 ALDH1A1 (0.46) ALDH1A1TSHRKDM4ESMN1; SMN2DNM1
SCHEMBL530011 0.87 ALDH1A1 (0.53) ALDH1A1TSHRKDM4ESMN1; SMN2HRH3
SCHEMBL2106534 0.84
SCHEMBL9651294 0.84 ALDH1A1 (0.50) ALDH1A1TSHRKDM4ESMN1; SMN2HRH3
SCHEMBL623374 0.84 ALDH1A1 (0.50) ALDH1A1TSHRKDM4ESMN1; SMN2HRH3
SCHEMBL10566857 0.84 ALDH1A1 (0.50) ALDH1A1TSHRKDM4ESMN1; SMN2HRH3
SCHEMBL4274493 0.82
SCHEMBL22813038 0.81 ALDH1A1 (0.56) ALDH1A1TSHRKDM4ESMN1; SMN2HRH3
Water SCHEMBL9578060 0.81 ALDH1A1 (0.47) ALDH1A1TSHRKDM4ESMN1; SMN2HRH3
SCHEMBL476584 0.81 ALDH1A1 (0.47) ALDH1A1TSHRKDM4ESMN1; SMN2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4647675-A Rhodamine dyes BASF AKTIENGESELLSCHAFT (DE) 1987-03-03 US claimed
EP-1829876-A1 NITROGENEOUS TRICYCLIC COMPOUND Asahi Kasei Pharma Corporation (JP) 2007-09-05 EP disclosed
US-20060247266-A1 Nitrogen-containing tricyclic compounds ASAHI KASEI PHARMA CORPORATION (JP) 2006-11-02 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-20060247266-A1 Nitrogen-containing tricyclic compounds MYO1B, CHRM1, MYL12A ALDH1A1 3199/4885TSHR 699/4885KDM4E 3043/4885

“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.