SCHEMBL7214609

SCHEMBL7214609

ClCCOc1ccc2c(c1)CCC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.56
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
KDM4E B2RXH2 2/20 0.52
TSHR P16473 2/20 0.52
POLB P06746 1/20 0.52
ALOX15 P16050 4/20 0.51
HSD17B10 Q99714 1/20 0.51
ALDH1A1 P00352 3/20 0.50
HPGD P15428 2/20 0.50
PPARG P37231 1/20 0.50
PPARD Q03181 1/20 0.50
LMNA P02545 3/20 0.48
MAPT P10636 2/20 0.48
RXRA P19793 2/20 0.48
RXRB P28702 2/20 0.48
RXRG P48443 2/20 0.48

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
SCHEMBL9720056 0.84 PPARG (0.64) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL15625501 0.81 KDM4E (0.60) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL29825051 0.81 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL23222346 0.81 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL3150833 0.81 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL6172712 0.80 MAOB (0.67) HRH3
SCHEMBL9796002 0.80 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL9720055 0.79 ALOX15 (0.59) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL4331486 0.79 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL22692759 0.79 KDM4E (0.57) SMN1; SMN2NPC1RAB9ANFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6610712-B2 Treating serotonin-related central nervous system disorders WYETH 2003-08-26 US disclosed
US-20020091141-A1 Aryloxy piperidinyl derivatives for the treatment of depression AMERICAN HOME PRODUCTS CORPORATION (US) 2002-07-11 US disclosed
WO-2002048105-A2 ARYLOXY PIPERIDINYL DERIVATIVES FOR THE TREATMENT OF DEPRESSION WYETH (US) 2002-06-20 WO disclosed
US-6291683-B1 AS ANTIDEPRESSANTS AMERICAN HOME PRODUCTS CORP 2001-09-18 US disclosed
EP-1070050-A1 N-ARYLOXYETHYL-INDOLY-ALKYLAMINES FOR THE TREATMENT OF DEPRESSION (5-HT1A RECEPTOR ACTIVE AGENTS) AMERICAN HOME PRODUCTS CORPORATION (US) 2001-01-24 EP disclosed
US-6121307-A SIDE EFFECT REDUCTION; ADMINISTERING TO TREAT DEPRESSION AMERICAN HOME PRODUCTS CORP. (US) 2000-09-19 US disclosed
WO-1999051575-A1 N-ARYLOXYETHYL-INDOLY-ALKYLAMINES FOR THE TREATMENT OF DEPRESSION (5-HT1A RECEPTOR ACTIVE AGENTS) AMERICAN HOME PRODUCTS CORPORATION (US) 1999-10-14 WO 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-20020091141-A1 Aryloxy piperidinyl derivatives for the treatment of depression HTR2C, HTR1A, OPRD1 SMN1; SMN2 448/4885NPC1 291/4885RAB9A 2865/4885

“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.