SCHEMBL14112140

SCHEMBL14112140

O=C(NCc1ccc(F)cc1)N1CCC(N2CCC(c3ccccc3)CC2)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.58
▸ TSHR P16473 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ TUBB4A P04350 1/20 0.53
▸ TUBB P07437 1/20 0.53
▸ TUBA3C P0DPH7 1/20 0.53
▸ TUBA1B P68363 1/20 0.53
▸ TUBA4A P68366 1/20 0.53
▸ TUBB4B P68371 1/20 0.53
▸ TUBB3 Q13509 1/20 0.53
▸ TUBB2A Q13885 1/20 0.53
▸ TUBB8 Q3ZCM7 1/20 0.53
▸ TUBA3E Q6PEY2 1/20 0.53
▸ TUBA1A Q71U36 1/20 0.53
▸ TUBA1C Q9BQE3 1/20 0.53
▸ TUBB6 Q9BUF5 1/20 0.53
▸ TUBB2B Q9BVA1 1/20 0.53
▸ TUBB1 Q9H4B7 1/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53

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
SCHEMBL14112120 0.92 HRH3 (0.59) ALDH1A1TSHRSMN1; SMN2TUBB4ATUBB
SCHEMBL4071469 0.89 TUBB4A (0.53) ALDH1A1TSHRSMN1; SMN2TUBB4ATUBB
SCHEMBL14112119 0.89 NPC1 (0.55) SMN1; SMN2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1575388 0.85 HRH3 (0.62) ALDH1A1TSHRTUBB4ATUBBTUBA3C
SCHEMBL14112142 0.85 CYP2C9 (0.48) ALDH1A1SMN1; SMN2MEN1KMT2AHRH3
SCHEMBL14112113 0.85 CCR2 (0.67) TACR1
SCHEMBL14208899 0.84 ALDH1A1 (0.64) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL14112121 0.81 MAPK8 (0.50) SMN1; SMN2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL14112130 0.81 GRIN2B (0.65) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL14112559 0.79 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MEN1KMT2ATACR1

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-8754107-B2 Aminopyrrolidines as chemokine receptor antagonists ABBVIE INC. (US) 2014-06-17 — — US disclosed
US-8754107-B2 Aminopyrrolidines as chemokine receptor antagonists ABBVIE INC. (US) 2014-06-17 — — US disclosed
US-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone ABBVIE INC. 2008-07-24 — — US disclosed
US-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone ABBVIE INC. 2008-07-24 — — US disclosed
WO-2008060621-A2 AMINOPYRROLIDINES AS CHEMOKINE RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 2008-05-22 — — 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-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone MIF, CCL5, CCR2 ALDH1A1 433/4885TSHR 2512/4885SMN1; SMN2 3260/4885

“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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