SCHEMBL21516024

SCHEMBL21516024

c1ccc2c(C3CCCN3)nccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DDB1 Q16531 1/20 0.48
▸ CRBN Q96SW2 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ CHRNB2 P17787 3/20 0.44
▸ CHRNA4 P43681 3/20 0.44
▸ CHRNA7 P36544 2/20 0.44
▸ CHRM5 P08912 3/20 0.41
▸ CHRM3 P20309 3/20 0.41
▸ CHRM1 P11229 2/20 0.41
▸ CHRM2 P08172 2/20 0.41
▸ CHRM4 P08173 2/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ CYP2A6 P11509 2/20 0.40

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
SCHEMBL28928153 0.80 CHRNB2 (0.52) SMN1; SMN2MAPTCHRNB2CHRNA4CHRNA7
SCHEMBL11254113 0.75 NPC1 (0.53) DDB1CRBNSMN1; SMN2NPC1ALDH1A1
SCHEMBL18828484 0.74 MAPT (0.56) DDB1CRBNSMN1; SMN2NPC1ALDH1A1
SCHEMBL6275687 0.74 HTR2C (0.50) DDB1CRBNSMN1; SMN2NPC1ALDH1A1
SCHEMBL30735496 0.74 HTR2C (0.50) DDB1CRBNSMN1; SMN2NPC1ALDH1A1
SCHEMBL29249915 0.73 ALDH1A1 (0.51) DDB1CRBNSMN1; SMN2NPC1ALDH1A1
SCHEMBL20623031 0.73 ALDH1A1 (0.51) DDB1CRBNSMN1; SMN2NPC1ALDH1A1
SCHEMBL29249946 0.73 ALDH1A1 (0.51) DDB1CRBNSMN1; SMN2NPC1ALDH1A1
SCHEMBL29249988 0.73 ALDH1A1 (0.51) DDB1CRBNSMN1; SMN2NPC1ALDH1A1
SCHEMBL10356217 0.73 ALDH1A1 (0.51) DDB1CRBNSMN1; SMN2NPC1ALDH1A1

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-11332470-B2 CXCR4 inhibitors and uses thereof X4 PHARMACEUTICALS, INC. (US) 2022-05-17 — — US disclosed
EP-3788042-A1 BCL-2 INHIBITORS BeiGene, Ltd. (KY) 2021-03-10 — — EP disclosed
US-20190322671-A1 CXCR4 INHIBITORS AND USES THEREOF X4 PHARMACEUTICALS, INC. 2019-10-24 — — 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 (2 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-20190322671-A1 CXCR4 INHIBITORS AND USES THEREOF CXCR4, CXCL12, CXCR3 DDB1 3050/4885CRBN 1738/4885SMN1; SMN2 4673/4885
US-11332470-B2 CXCR4 inhibitors and uses thereof CXCR4, CXCL12, CXCR3 DDB1 3050/4885CRBN 1738/4885SMN1; SMN2 4673/4885

“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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