SCHEMBL3840286

SCHEMBL3840286

O=C(O)C1CCCN(CCO)C1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 4/20 0.54
ALDH1A1 P00352 3/20 0.54
LMNA P02545 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
TSHR P16473 1/20 0.54
NFKB1 P19838 1/20 0.54
CYP2C19 P33261 1/20 0.54
HSD17B10 Q99714 1/20 0.54
SLC6A11 P48066 1/20 0.52

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
SCHEMBL3842807 0.95 SLC6A1 (0.50) SLC6A1ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL3841017 0.92
SCHEMBL3837949 0.89 BCHE (0.51) CYP1A2CYP2D6CYP2C9TSHRNFKB1
SCHEMBL883999 0.89 SMN1; SMN2 (0.44) SLC6A1ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL3865049 0.87 SLC6A1 (0.55) SLC6A1ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL28959996 0.87 BCHE (0.55) CYP1A2CYP2D6CYP2C9TSHRNFKB1
SCHEMBL3841038 0.85 SLC6A1 (0.54) SLC6A1ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL3839566 0.85 SLC6A1 (0.54) SLC6A1ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL3838182 0.84 SLC6A1 (0.52) SLC6A1ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL6360035 0.84 SLC6A1 (0.52) SLC6A1ALDH1A1LMNACYP1A2CYP2D6

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-11306078-B2 Piperidine CXCR7 receptor modulators IDORSIA PHARMACEUTICALS LTD. (CH) 2022-04-19 US disclosed
EP-1931341-B1 1H-INDOLE-PYRIDINECARBOXAMIDE AND 1H-INDOLE-PIPERIDINECARBOXAMIDE DERIVATIVES AND THEIR USE AS TYROSINE HYDROXYLASE INDUCERS SERVIER LAB (FR) 2009-11-04 EP disclosed
US-20080274107-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2008-11-06 US disclosed
US-20080274107-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2008-11-06 US disclosed
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors IRM LLC (BM) 2007-06-28 US disclosed
US-7186723-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-03-06 US disclosed
US-7186723-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-03-06 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 (3 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-11306078-B2 Piperidine CXCR7 receptor modulators CXCR1, CXCR5, ACKR3 SLC6A1 2342/4885ALDH1A1 434/4885LMNA 4843/4885
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors KIT, PRKCH, PRKCE SLC6A1 3509/4885ALDH1A1 1472/4885LMNA 710/4885
US-20080274107-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 SLC6A1 4731/4885ALDH1A1 3104/4885LMNA 3751/4885

“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.