SCHEMBL7253000

SCHEMBL7253000

CCN(CC)CCn1ncc2ccc(-c3ccc(C)s3)cc21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ KMO O15229 2/20 0.38
▸ GRIN2B Q13224 7/20 0.38
▸ GRIN1 Q05586 5/20 0.38
▸ PGR P06401 1/20 0.36
▸ BRD4 O60885 3/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HTR1D P28221 1/20 0.34
▸ HTR1B P28222 1/20 0.34
▸ RAD52 P43351 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ POLB P06746 1/20 0.34

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
SCHEMBL7256589 0.88 GRIN2B (0.39) HTR2AHTR2CHTR2BKMOGRIN2B
SCHEMBL7253155 0.84 GRIN2B (0.41) HTR2AHTR2CHTR2BKMOGRIN2B
SCHEMBL7256625 0.82 MCHR1 (0.46) HTR2AHTR2CHTR2BKMOGRIN2B
SCHEMBL7253398 0.79 HTR1D (0.48) HTR2AHTR2CHTR2BKMOBRD4
SCHEMBL7252996 0.76 HTR1D (0.52) BRD4HTR1D
SCHEMBL7252961 0.76 BRD4 (0.36) HTR2AHTR2CHTR2BKMOBRD4
SCHEMBL7572923 0.76 HTR2A (0.44) HTR2AHTR2CHTR2BKMOHTR1D
SCHEMBL7253683 0.76 KMO (0.57) HTR2AHTR2CHTR2BKMOSMN1; SMN2
SCHEMBL7253254 0.73 MKNK1 (0.40) BRD4SMN1; SMN2PKM
SCHEMBL7253556 0.72 HTR1D (0.46) HTR2AHTR2CHTR2BKMOBRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6635639-B2 Treatment or diagnosis of central nervous system conditions NPS ALLELIX CORP. (CA) 2003-10-21 — — US claimed
US-20020169322-A1 Use of N-alkylamino-heterocylic compounds for the treatment of migraine NPS ALLEXLIX CORP. 2002-11-14 — — US claimed
US-6635639-B2 Treatment or diagnosis of central nervous system conditions NPS ALLELIX CORP. (CA) 2003-10-21 — — US disclosed
US-20020169322-A1 Use of N-alkylamino-heterocylic compounds for the treatment of migraine NPS ALLEXLIX CORP. 2002-11-14 — — US disclosed
US-6380242-B1 FOR DIAGNOSIS AND THERAPY OF CENTRAL NERVOUS SYSTEM CONDITIONS NPS ALLELIX CORP. (CA) 2002-04-30 — — 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-20020169322-A1 Use of N-alkylamino-heterocylic compounds for the treatment of migraine CNR1, CNR2, KCNH1 HTR2A 425/4885HTR2C 127/4885HTR2B 131/4885

“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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